data_2mr8_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 2mr8 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 65.45 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 71.43 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 74.25 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 73.22 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 74.23 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 74.3 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 71.4 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 75.45 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 71.43 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 75.23 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 73.13 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 73.34 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 75.32 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 73.23 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 61.45 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 74.1 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 73.21 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 72.04 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 74.14 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.33 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 75.42 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.45 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 60.53 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 63.13 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 73.13 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 74.45 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 75.24 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 62.35 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 72.35 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 74.45 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 72.5 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 74.15 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 74.04 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 74.43 111.355 -179.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 113.811 1.041 . . . . 63.11 113.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 72.33 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 73.3 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 74.21 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 73.41 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 75.12 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 74.11 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 74.44 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 72.52 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 72.35 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 72.04 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 74.03 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.4 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 74.44 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 74.42 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 75.41 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 73.51 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 74.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 75.22 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.51 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 75.35 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 74.05 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 74.0 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 74.25 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 64.35 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 75.35 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 73.11 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 74.12 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 73.13 110.7 -178.409 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.229 0.455 . . . . 73.3 112.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.5 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 74.03 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 75.33 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 75.53 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 73.24 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 75.41 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 75.31 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.34 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 70.1 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 74.23 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 75.24 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 74.11 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 74.41 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 73.3 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 74.41 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 71.33 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 74.42 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 64.24 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 73.03 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 75.12 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 73.53 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 74.51 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 75.35 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 71.31 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 75.12 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 64.35 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 72.23 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 73.32 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 75.21 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 61.03 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 74.11 110.637 179.355 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.218 0.451 . . . . 74.15 112.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 75.15 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HA ' HD11 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 71.3 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.45 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 72.02 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 74.24 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.4 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 71.21 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 72.2 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 75.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 72.01 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 72.11 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 74.11 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.494 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 74.35 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 72.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 64.11 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 74.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 75.13 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 72.04 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 75.54 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 74.31 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 75.25 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 64.23 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 72.5 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 74.44 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 74.01 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 73.11 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.45 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 64.35 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 62.01 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 72.21 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 73.15 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 73.42 111.692 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 64.51 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 75.13 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 70.01 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 75.42 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 72.11 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 31.51 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 74.02 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 65.34 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 74.43 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 74.44 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 71.24 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 74.43 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 71.44 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 72.34 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 74.41 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 74.24 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 75.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 75.55 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 72.11 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 75.35 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 74.42 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 74.21 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 72.13 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 73.23 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 73.03 109.833 178.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 65.35 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 75.31 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 71.33 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 75.5 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 75.01 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 62.32 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 65.11 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 73.41 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 73.13 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 33.22 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 63.14 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 73.53 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 71.31 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 71.11 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 75.25 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 74.23 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 65.22 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 74.23 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.22 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 73.03 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 75.42 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 63.32 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 74.01 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 72.21 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 72.41 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 74.44 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 74.55 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 64.11 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 74.52 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 72.31 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 74.32 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 . . . . . 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 74.34 109.841 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 61.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 72.4 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 70.14 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 74.52 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 75.21 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 74.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.52 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 75.14 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 73.23 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 71.32 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 72.15 110.88 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 74.24 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 75.33 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 75.44 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 74.21 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 73.44 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 64.2 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 71.53 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.43 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 73.13 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 74.54 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.4 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 74.52 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 32.13 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 72.44 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 75.1 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 74.33 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.44 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 74.1 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 74.31 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 73.41 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 73.23 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 74.1 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 75.02 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 73.45 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.15 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 72.43 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 74.33 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 71.04 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 74.4 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.44 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 75.03 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 60.32 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.45 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 74.52 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 72.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 73.41 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 71.33 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 64.02 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 74.03 109.706 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 71.52 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.31 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 70.2 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 71.11 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 75.0 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 70.34 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 75.4 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.31 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 75.3 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 74.55 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 72.42 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 62.24 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 71.12 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 74.23 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 62.24 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 73.51 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 74.33 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.634 0.605 . . . . 74.04 112.634 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 72.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 75.45 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 74.05 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 75.04 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 63.21 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 64.22 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.5 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 75.22 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 73.34 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 74.5 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 73.23 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 64.5 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 72.42 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.34 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 73.5 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 73.41 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 75.21 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 75.5 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 74.31 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 74.3 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 73.54 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 74.2 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 75.34 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 64.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 71.14 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 75.0 110.093 178.693 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' HA ' HD13 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 72.43 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 74.15 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 1.419 ' HB3' ' CB ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 75.13 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 74.52 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 72.41 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 75.11 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.42 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 72.44 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.32 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 63.01 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 73.3 113.931 -172.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 73.13 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 71.15 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 73.42 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 74.32 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 74.03 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.43 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 75.52 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 74.31 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 75.45 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 73.15 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 74.44 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 74.51 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 52.23 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 71.33 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 74.34 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.32 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 71.34 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 72.21 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 74.01 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 73.23 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 71.42 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 44.21 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.41 108.48 179.068 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.221 0.452 . . . . 75.01 112.221 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 74.0 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 74.31 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 71.43 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.03 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 72.32 112.307 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 71.43 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 71.42 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 62.43 112.407 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 71.32 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 75.14 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 73.45 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 73.11 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 75.03 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 72.44 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 72.35 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 54.24 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 63.43 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 73.14 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 75.23 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 70.12 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 75.22 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 73.12 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 74.14 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 73.22 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 71.34 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 75.33 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 73.23 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.3 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 73.15 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 75.45 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 71.45 112.769 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 71.22 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.25 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 75.24 111.442 -179.008 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 62.54 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 72.12 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 74.24 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 74.22 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 75.24 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 72.03 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 72.54 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 74.34 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 75.51 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 74.35 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 75.23 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 74.12 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 61.23 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 70.1 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 75.41 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.34 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 71.52 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 52.04 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 65.31 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 73.11 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 74.44 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 71.52 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.44 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 74.24 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.23 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 64.51 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 75.41 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 65.25 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 74.22 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 74.21 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 74.52 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 72.51 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 75.32 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 75.33 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 73.04 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.54 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 67' ' ' SER . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 66' ' ' SER . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 73.33 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 74.01 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 61.31 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 72.53 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 74.44 112.472 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 71.13 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.23 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 74.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 73.43 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 72.1 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.44 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 60.45 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.31 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 73.13 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 75.3 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 73.34 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 74.2 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 60.23 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 65.32 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 74.4 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 75.32 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 73.43 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 75.34 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 75.5 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 72.04 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 74.42 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 63.43 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 74.24 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 74.01 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 75.23 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 71.31 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 74.41 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 72.33 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.54 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 73.4 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 62.51 112.367 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 55.03 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 61.23 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 75.23 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 75.11 114.452 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 74.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 75.52 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 74.35 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 73.12 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 73.03 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 64.5 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 74.11 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.34 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 70.01 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 74.41 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 74.0 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 71.44 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 74.44 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 74.4 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 75.32 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 73.21 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 71.34 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 72.34 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 75.54 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 71.02 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 71.23 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 74.0 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.53 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 75.14 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.52 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 73.33 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 72.43 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.52 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.21 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 73.3 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 72.54 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.2 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 70.04 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 75.44 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 74.44 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 72.44 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 75.35 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 74.35 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 74.52 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 74.03 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 75.0 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 70.14 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 61.1 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 64.35 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 71.44 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 65.44 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 73.32 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 74.33 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 72.52 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 75.45 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 64.12 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 73.52 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 73.4 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.33 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 73.05 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.43 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 71.1 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 74.12 111.184 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.212 0.529 . . . . 65.03 112.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 63.04 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 71.11 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 75.04 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 75.12 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 74.01 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 71.33 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.42 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 75.03 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 72.22 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.44 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 71.35 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 64.34 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 74.44 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 65.3 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 75.53 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 75.04 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.51 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 73.53 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 73.14 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 73.04 110.472 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 73.53 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 72.01 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 73.33 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 74.13 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 62.52 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 74.02 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 74.5 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 74.15 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 75.15 111.552 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 72.2 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 73.14 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 73.35 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 74.43 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.03 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.42 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 75.5 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 75.43 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 73.53 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 75.33 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 75.33 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 70.32 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 73.23 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 73.35 113.225 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 74.35 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 74.52 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 72.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 73.45 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 73.25 111.792 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 75.01 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 72.42 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 74.32 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 73.21 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 71.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 72.55 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 74.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 73.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 73.15 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 73.3 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 73.25 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 74.4 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 75.13 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 72.24 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 71.13 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 61.11 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 63.55 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 64.11 111.071 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 71.4 114.183 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 70.43 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 72.24 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 64.22 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 74.5 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 73.34 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 62.4 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 75.3 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 74.1 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 72.13 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.31 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 73.21 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 53.14 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 74.05 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 74.32 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 71.51 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 73.32 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 73.24 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 73.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 71.41 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 64.21 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 65.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 65.34 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.52 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 75.42 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 64.33 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 65.11 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 70.32 110.481 179.625 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 121.163 0.506 . . . . 64.5 110.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 72.33 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 73.13 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 54.23 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 74.43 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 74.11 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 73.12 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 73.42 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 63.33 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 73.13 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 74.12 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 71.01 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 62.34 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 74.34 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 65.02 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 73.34 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 55.33 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 72.22 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 73.51 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 75.25 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 73.53 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 73.43 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 74.43 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 75.22 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 73.1 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 75.42 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 74.43 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 64.45 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 65.1 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.15 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 75.33 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 64.23 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.51 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 73.25 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 74.32 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 73.0 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 73.03 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 154.96 33.26 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.309 0.576 . . . . 0.0 110.315 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.7 mtt -93.17 -2.89 54.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.9 80.51 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.716 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 51.63 47.12 25.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 123.05 1.405 . . . . 0.0 111.361 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 150.94 96.43 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.329 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -79.19 160.87 26.38 Favored 'Trans proline' 0 C--N 1.347 0.472 0 N-CA-C 113.994 0.728 . . . . 0.0 113.994 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -93.33 137.17 32.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 t -88.67 170.54 10.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.1 -48.28 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -73.85 -31.57 63.25 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.52 85.51 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.22 -43.43 95.0 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.307 0.575 . . . . 0.0 109.533 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.22 69.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.276 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -25.75 68.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.089 -0.382 . . . . 0.0 111.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.14 -9.68 58.76 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -72.74 -14.1 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.81 151.68 40.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 p -67.4 104.25 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -142.51 134.58 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -84.73 117.88 24.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -70.67 151.76 95.33 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.04 141.18 52.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.156 -2.096 . . . . 0.0 112.638 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -81.93 172.67 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.867 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -146.0 165.5 28.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -81.89 165.69 20.57 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 117.877 0.308 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--O 1.247 0.95 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.364 -176.172 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 CA-C-O 119.301 -0.722 . . . . 62.31 111.58 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.32 62.97 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.181 0.99 . . . . 73.33 110.482 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -141.4 158.06 44.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.378 -1.712 . . . . 75.5 106.378 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.07 168.7 26.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.439 -2.06 . . . . 61.21 105.439 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 160.9 31.13 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.778 -1.193 . . . . 75.1 107.778 173.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 152.98 89.22 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 105.388 -2.078 . . . . 73.42 105.388 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -69.33 139.55 42.01 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 115.315 -2.657 . . . . 71.24 111.808 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.7 -60.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.635 -0.876 . . . . 75.35 108.635 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 m -79.18 142.76 36.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.357 -0.979 . . . . 74.14 108.357 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.87 72.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 65.45 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 71.43 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 74.25 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 73.22 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 74.23 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 74.3 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 71.4 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 75.45 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 71.43 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 75.23 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 73.13 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 73.34 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 75.32 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 73.23 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 61.45 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 74.1 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 73.21 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 72.04 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 74.14 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.33 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 75.42 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.45 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 60.53 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 63.13 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 73.13 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 74.45 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 75.24 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 62.35 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 72.35 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 74.45 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 72.5 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 74.15 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 74.04 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.55 -29.95 69.46 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 74.43 111.355 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.63 72.12 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 121.61 0.719 . . . . 74.55 109.703 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.3 tp -71.15 -35.35 71.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.433 0.635 . . . . 65.53 111.266 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.69 78.48 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.45 -0.781 . . . . 71.43 109.26 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.83 68.77 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.56 0.578 . . . . 75.14 112.56 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -76.14 -20.68 57.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.668 0.247 . . . . 62.02 111.668 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -86.68 -28.48 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 72.22 109.951 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.13 38.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.574 . . . . 72.03 109.614 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -80.95 142.21 33.71 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -143.8 175.56 9.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.167 -1.79 . . . . 75.0 106.167 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -62.23 154.41 27.6 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 109.531 -0.544 . . . . 75.41 109.531 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -62.2 145.93 93.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 108.84 -0.8 . . . . 72.04 108.84 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.34 149.61 57.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 117.388 -1.274 . . . . 74.1 111.663 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.9 160.29 24.76 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.328 -0.99 . . . . 71.32 108.328 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -82.7 150.33 26.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.534 -0.913 . . . . 70.21 108.534 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.78 9.02 42.98 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.709 0.404 . . . . 71.23 112.068 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.25 1.128 0 N-CA-C 108.668 -0.864 . . . . 75.23 108.668 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 CA-C-O 118.822 -0.988 . . . . 74.12 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.24 160.15 29.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.748 -1.204 . . . . 63.32 107.748 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 mmt -115.7 164.17 14.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.59 123.08 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.767 -0.827 . . . . 60.14 108.767 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -94.21 136.47 34.47 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.229 -1.396 . . . . 75.23 107.229 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.92 157.96 37.46 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.785 -0.82 . . . . 75.14 108.785 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.82 148.01 35.56 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 117.264 -1.357 . . . . 72.45 111.531 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -102.17 -40.11 6.95 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.416 -0.957 . . . . 71.14 108.416 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -103.26 143.62 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.049 0.452 . . . . 63.12 111.262 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.34 86.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.811 1.041 . . . . 63.11 113.811 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 72.33 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 73.3 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 74.21 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 73.41 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 75.12 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 74.11 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 74.44 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 72.52 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 72.35 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 72.04 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 74.03 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.4 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 74.44 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 74.42 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 75.41 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 73.51 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 74.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 75.22 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.51 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 75.35 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 74.05 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 74.0 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 74.25 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 64.35 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 75.35 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 73.11 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 74.12 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -70.93 -33.22 70.29 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 73.13 110.7 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.63 94.52 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 121.304 0.573 . . . . 52.42 110.16 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.164 0.507 . . . . 74.24 110.932 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.22 78.71 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.884 -0.51 . . . . 63.3 109.716 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.16 82.51 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 122.39 -0.194 . . . . 70.11 111.472 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.28 -34.15 77.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.086 0.47 . . . . 73.54 110.538 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -73.22 -38.97 65.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.568 . . . . 74.24 111.801 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 97.81 3.36 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.839 0.352 . . . . 73.11 110.959 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.1 t -137.0 148.42 46.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.019 -0.363 . . . . 73.14 110.019 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -76.23 135.91 39.69 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.124 -0.695 . . . . 75.13 109.124 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -64.33 138.51 58.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.703 0.763 . . . . 74.14 111.472 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -81.14 154.77 72.44 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.625 -0.879 . . . . 73.3 108.625 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.03 1.72 8.37 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 N-CA-C 113.71 0.619 . . . . 73.32 113.71 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -107.09 167.44 9.9 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 106.902 -1.518 . . . . 74.45 106.902 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -99.51 147.01 25.76 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 113.327 -1.761 . . . . 72.42 108.408 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 44.07 33.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.993 2.117 . . . . 73.4 113.732 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 117.273 -1.346 . . . . 74.52 108.175 -174.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 119.796 -0.447 . . . . 73.21 112.633 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.89 -159.06 0.98 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 105.766 -1.939 . . . . 70.13 105.766 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -57.53 -39.73 77.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 107.988 -1.115 . . . . 74.5 107.988 173.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 125.5 33.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.254 -1.758 . . . . 64.43 106.254 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 51.25 65.77 1.39 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.725 1.009 . . . . 74.2 113.725 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.19 -48.49 94.1 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 113.864 1.061 . . . . 74.35 113.864 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.7 164.07 32.72 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 115.637 -2.442 . . . . 73.01 113.001 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -106.01 -54.73 2.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.485 -0.325 . . . . 74.44 110.939 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -102.76 152.91 20.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.077 0.769 . . . . 71.33 113.077 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.57 77.06 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.731 -0.606 . . . . 73.3 112.229 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.5 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 74.03 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 75.33 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 75.53 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 73.24 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 75.41 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 75.31 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.34 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 70.1 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 74.23 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 75.24 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 74.11 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 74.41 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 73.3 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 74.41 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 71.33 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 74.42 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 64.24 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 73.03 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 75.12 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 73.53 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 74.51 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 75.35 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 71.31 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 75.12 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 64.35 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 72.23 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 73.32 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 75.21 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 61.03 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -68.06 -30.33 69.51 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 74.11 110.637 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.16 81.67 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.672 -0.24 . . . . 73.01 110.943 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.95 -39.38 94.0 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 122.032 -0.417 . . . . 74.53 110.009 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.37 -26.25 68.36 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.56 0.578 . . . . 72.11 112.56 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.76 67.66 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.114 0.412 . . . . 63.14 112.114 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.1 -25.63 68.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.924 0.342 . . . . 74.4 111.924 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -82.5 -33.5 28.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.09 0.471 . . . . 73.11 110.05 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.48 80.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 75.42 109.965 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.7 t -160.22 137.25 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 73.14 108.336 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.22 140.9 41.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.967 -0.753 . . . . 72.32 108.967 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -60.82 125.14 22.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.404 -0.362 . . . . 65.34 110.554 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -65.77 146.06 99.0 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.872 -0.788 . . . . 64.34 108.872 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.4 164.79 30.28 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 118.128 -0.781 . . . . 71.05 112.714 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -152.46 -174.36 4.87 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.205 -1.776 . . . . 64.21 106.205 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.18 147.22 52.58 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.135 -1.802 . . . . 74.53 106.135 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -144.8 175.96 9.8 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.139 -1.06 . . . . 72.1 108.139 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 115.476 -2.202 . . . . 73.25 105.614 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 CA-C-O 118.176 -1.347 . . . . 73.3 111.158 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 151.42 45.97 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.456 -0.942 . . . . 71.15 108.456 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -156.64 154.32 29.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.364 -1.717 . . . . 72.42 106.364 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.92 21.6 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.21 0.529 . . . . 74.04 111.277 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -137.86 163.92 30.23 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.766 -0.827 . . . . 74.4 108.766 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.56 159.68 71.3 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 104.302 -2.481 . . . . 74.31 104.302 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.46 147.87 71.99 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 116.121 -2.119 . . . . 74.43 113.375 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.48 -38.33 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.491 -0.929 . . . . 75.24 108.491 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -96.83 137.84 35.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.862 0.839 . . . . 72.53 110.461 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -21.6 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.829 -0.544 . . . . 74.15 112.218 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 75.15 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HA ' HD11 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 71.3 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.45 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 72.02 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 74.24 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.4 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 71.21 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 72.2 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 75.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 72.01 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 72.11 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 74.11 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.494 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 74.35 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 72.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 64.11 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 74.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 75.13 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 72.04 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 75.54 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 74.31 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 75.25 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 64.23 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 72.5 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 74.44 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 74.01 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 73.11 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.45 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 64.35 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 62.01 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 72.21 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 73.15 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.85 -33.8 74.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 73.42 111.692 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.61 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.685 0.755 . . . . 72.05 109.658 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.68 -42.26 95.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.179 -0.919 . . . . 75.33 109.903 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.55 84.84 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 122.0 -0.437 . . . . 72.31 110.775 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.4 98.42 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.478 0.547 . . . . 73.25 112.478 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -78.1 -19.55 53.93 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.98 -0.688 . . . . 74.14 111.824 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -84.27 -34.24 23.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.049 0.388 . . . . 73.1 112.049 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -1.34 58.02 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.184 0.516 . . . . 73.33 111.341 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -73.36 130.38 40.04 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 62.22 109.699 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -72.36 -23.31 61.11 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.177 -0.675 . . . . 75.12 109.177 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -89.45 123.32 33.48 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.761 -1.2 . . . . 74.24 107.761 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -66.81 142.75 97.66 Favored Pre-proline 0 C--O 1.239 0.544 0 CA-C-N 115.824 -0.626 . . . . 62.41 109.675 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.62 154.13 49.47 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 116.727 -1.715 . . . . 73.11 110.724 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -76.51 178.49 6.59 Favored 'General case' 0 C--O 1.196 -1.713 0 CA-C-O 122.591 1.186 . . . . 74.02 111.417 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -82.51 -17.03 46.51 Favored 'General case' 0 N--CA 1.401 -2.896 0 CA-C-N 112.142 -2.299 . . . . 70.44 111.061 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -77.43 139.14 39.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.391 -1.707 . . . . 73.3 106.391 172.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.246 0.91 0 CA-C-O 117.385 -1.293 . . . . 75.3 111.905 -174.256 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 118.693 -1.06 . . . . 74.34 111.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.39 38.26 27.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.742 0.817 . . . . 54.15 112.695 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 mtt -83.81 -16.07 45.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.629 -0.259 . . . . 74.3 110.707 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 30.93 12.0 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.084 0.865 . . . . 74.32 111.374 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.91 133.45 7.06 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 107.234 -1.395 . . . . 64.51 107.234 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.01 165.06 0.12 Allowed Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 124.99 1.431 . . . . 62.14 112.365 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.18 144.13 50.85 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 115.923 -2.251 . . . . 74.1 113.072 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -90.73 -56.73 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.319 0.581 . . . . 73.21 109.704 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -88.15 149.07 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 70.4 108.021 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.67 70.43 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 64.51 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 75.13 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 70.01 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 75.42 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 72.11 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 31.51 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 74.02 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 65.34 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 74.43 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 74.44 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 71.24 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 74.43 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 71.44 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 72.34 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 74.41 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 74.24 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 75.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 75.55 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 72.11 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 75.35 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 74.42 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 74.21 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 72.13 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 73.23 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -75.92 -29.9 58.55 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 73.03 109.833 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.39 87.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.539 -0.3 . . . . 74.52 110.733 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.51 -48.28 80.24 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.661 -0.649 . . . . 75.31 110.077 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.73 82.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.985 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.26 87.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.33 -0.395 . . . . 72.23 110.868 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.046 0.451 . . . . 74.44 109.79 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 m -74.31 -14.0 60.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.426 0.898 . . . . 63.05 113.426 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 54.26 59.27 4.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.354 0.662 . . . . 73.25 111.466 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -57.17 -19.54 21.04 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.27 1.211 . . . . 74.24 114.27 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -150.27 165.18 33.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.588 -2.004 . . . . 73.53 105.588 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -59.05 148.03 32.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.319 0.581 . . . . 62.42 112.541 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -70.4 151.11 95.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.684 -1.228 . . . . 72.52 107.684 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.96 43.83 1.35 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 121.001 1.134 . . . . 72.41 113.956 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.72 164.09 38.53 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.964 -1.495 . . . . 73.45 106.964 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -79.6 142.27 35.8 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.157 -1.424 . . . . 74.44 107.157 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -150.52 172.13 15.97 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 107.83 -1.174 . . . . 60.04 107.83 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.506 -0.712 0 N-CA-C 105.46 -2.052 . . . . 74.3 105.46 -179.453 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 CA-C-O 119.006 -0.885 . . . . 74.1 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 164.91 33.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.659 -1.608 . . . . 71.11 106.659 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.5 mtp -74.78 -16.36 60.72 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 117.732 0.242 . . . . 73.43 111.6 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.77 40.84 28.5 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.287 0.635 . . . . 61.21 111.08 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -133.04 155.62 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.089 -0.708 . . . . 74.0 109.089 -176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.1 166.79 20.13 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 104.727 -2.323 . . . . 71.21 104.727 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.56 171.97 9.93 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 117.286 -1.343 . . . . 64.24 113.173 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 59.27 35.7 23.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.298 1.047 . . . . 72.24 111.621 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 m -68.87 158.66 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.763 -0.829 . . . . 65.42 108.763 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.62 62.3 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 65.35 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 75.31 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 71.33 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 75.5 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 75.01 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 62.32 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 65.11 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 73.41 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 73.13 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 33.22 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 63.14 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 73.53 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 71.31 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 71.11 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 75.25 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 74.23 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 65.22 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 74.23 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.22 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 73.03 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 75.42 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 63.32 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 74.01 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 72.21 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 72.41 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 74.44 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 74.55 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 64.11 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 74.52 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 72.31 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 74.32 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -70.9 -28.97 64.93 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 74.34 109.841 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.71 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.272 0.558 . . . . 64.01 110.198 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.39 -37.79 88.65 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.862 -0.524 . . . . 74.32 110.353 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.84 74.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 122.097 -0.377 . . . . 53.1 110.153 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.87 -33.27 62.06 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.486 -0.485 . . . . 64.11 110.792 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.0 -36.28 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.778 -0.369 . . . . 74.4 110.798 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 p -78.36 -11.0 59.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.001 0.371 . . . . 72.52 112.001 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.66 164.26 26.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.251 0.548 . . . . 75.12 109.725 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -67.42 154.69 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.635 -0.711 . . . . 64.01 110.036 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 62.1 m95 67.41 14.92 9.79 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.646 1.35 . . . . 74.23 114.646 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.4 p -72.83 150.1 43.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.548 -1.279 . . . . 74.31 107.548 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -67.9 136.69 92.21 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.33 -0.619 . . . . 75.53 109.33 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.06 175.36 10.98 Favored 'Trans proline' 0 N--CA 1.469 0.083 0 CA-C-O 121.612 0.588 . . . . 74.14 112.629 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -140.92 173.96 10.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 103.922 -2.622 . . . . 75.53 103.922 172.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -98.93 124.92 44.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 124.137 0.898 . . . . 73.12 109.809 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -82.26 165.45 20.41 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.835 -1.542 . . . . 74.15 106.835 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--O 1.252 1.235 0 CA-C-O 117.554 -1.212 . . . . 72.04 111.255 -176.285 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 118.678 -1.068 . . . . 73.13 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.4 40.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.905 -1.146 . . . . 75.21 107.905 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.34 165.04 14.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.271 -1.381 . . . . 62.15 107.271 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.29 139.1 52.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.522 -1.288 . . . . 75.24 107.522 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -157.55 -95.0 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.351 0.407 . . . . 75.43 110.255 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.75 -53.84 0.01 OUTLIER Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.348 0.659 . . . . 64.41 109.461 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.3 -179.43 4.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 115.2 -2.733 . . . . 75.03 109.207 168.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 69.11 17.7 8.41 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.581 1.552 . . . . 71.51 111.109 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -72.58 135.63 45.59 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.57 -1.27 . . . . 65.25 107.57 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.41 -29.94 66.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 61.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 72.4 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 70.14 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 74.52 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 75.21 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 74.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.52 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 75.14 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 73.23 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 71.32 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 72.15 110.88 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 74.24 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 75.33 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 75.44 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 74.21 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 73.44 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 64.2 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 71.53 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.43 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 73.13 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 74.54 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.4 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 74.52 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 32.13 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 72.44 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 75.1 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 74.33 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.44 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 74.1 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 74.31 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 73.41 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 73.23 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -75.17 -29.43 60.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.28 93.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.419 -0.355 . . . . 75.5 110.949 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.33 -41.8 93.57 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.156 -0.312 . . . . 74.02 110.156 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.12 93.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.762 0.315 . . . . 74.33 110.779 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.7 94.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.47 . . . . 72.42 110.498 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.92 -37.27 85.63 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.0 -0.546 . . . . 75.04 110.767 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 t -59.26 -29.35 67.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.519 0.563 . . . . 72.44 112.519 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.33 42.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.258 0.836 . . . . 74.13 113.258 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 m -127.13 19.47 6.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.684 0.278 . . . . 75.35 111.445 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -72.92 129.91 39.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.732 -0.47 . . . . 74.22 109.732 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -91.59 172.81 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.624 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 152.13 60.83 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 110.072 -0.344 . . . . 73.14 110.072 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.07 -10.06 22.52 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 N-CA-C 113.826 0.664 . . . . 72.12 113.826 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -81.96 172.08 13.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.755 -0.831 . . . . 75.41 108.755 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -128.56 158.21 39.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.381 -1.34 . . . . 73.22 107.381 173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -124.65 167.88 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.186 -1.042 . . . . 74.33 108.186 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.09 -1.433 . . . . 74.21 111.198 -176.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 CA-C-O 119.151 -0.805 . . . . 52.02 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.43 153.39 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.128 0.964 . . . . 62.54 109.024 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.98 3.12 33.12 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.315 0.487 . . . . 72.21 112.315 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.37 78.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.167 1.173 . . . . 74.44 114.167 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -106.35 140.33 39.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.101 0.477 . . . . 71.51 110.789 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.12 65.25 Favored Pre-proline 0 C--N 1.317 -0.81 0 N-CA-C 104.411 -2.44 . . . . 72.21 104.411 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.71 147.32 56.53 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 115.84 -2.306 . . . . 74.11 112.036 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.87 -41.68 6.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.627 -1.249 . . . . 73.44 107.627 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.1 m -103.49 150.43 23.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.302 0.572 . . . . 74.24 110.71 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.71 79.65 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 74.1 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 75.02 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 73.45 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.15 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 72.43 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 74.33 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 71.04 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 74.4 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.44 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 75.03 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 60.32 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.45 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 74.52 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 72.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 73.41 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 71.33 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 64.02 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 74.03 109.706 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 71.52 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.31 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 70.2 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 71.11 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 75.0 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 70.34 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 75.4 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.31 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 75.3 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 74.55 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 72.42 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 62.24 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 71.12 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 74.23 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 62.24 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 73.51 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 74.33 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.29 -31.85 60.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.56 98.85 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 121.463 0.649 . . . . 75.42 110.092 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.9 tp -71.96 -33.84 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.674 0.79 . . . . 75.13 111.295 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -23.89 65.07 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 121.108 -0.995 . . . . 71.33 111.545 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.82 65.92 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.936 0.717 . . . . 74.11 112.936 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -63.54 -35.21 79.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.299 . . . . 75.14 111.165 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -79.57 -14.09 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.225 -0.443 . . . . 64.13 111.758 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.5 10.18 26.37 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.398 -0.593 . . . . 74.5 109.398 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -118.88 -174.3 2.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.26 -1.385 . . . . 71.23 107.26 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -75.05 -0.06 17.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.727 1.01 . . . . 73.2 113.727 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.55 138.08 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.197 -0.668 . . . . 72.13 109.197 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -73.09 129.27 86.52 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.931 -0.396 . . . . 74.22 109.931 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.32 172.49 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 117.478 -1.215 . . . . 72.14 110.731 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -71.26 166.06 22.34 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 121.135 0.493 . . . . 75.31 109.904 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.71 0.61 38.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.276 -0.875 . . . . 73.44 112.672 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 57.41 33.02 22.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.641 1.21 . . . . 70.14 110.614 -176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.241 0.638 0 CA-C-N 113.78 -1.554 . . . . 72.24 107.966 176.328 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 118.213 -1.326 . . . . 71.2 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.64 154.91 32.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 105.072 -2.195 . . . . 54.4 105.072 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -85.53 143.57 28.43 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.576 -0.898 . . . . 73.34 108.576 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.8 -18.28 41.1 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 123.625 0.578 . . . . 70.32 110.221 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -90.19 147.49 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.674 -0.491 . . . . 74.35 109.674 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.71 159.09 73.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 104.451 -2.425 . . . . 72.21 104.451 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.22 151.71 66.6 Favored 'Trans proline' 0 C--O 1.24 0.595 0 C-N-CA 116.865 -1.623 . . . . 75.41 112.895 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -108.76 -25.59 10.74 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.076 -0.713 . . . . 74.13 109.076 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -104.43 142.6 34.31 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.455 0.645 . . . . 73.51 110.721 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.89 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.634 0.605 . . . . 74.04 112.634 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 72.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 75.45 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 74.05 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 75.04 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 63.21 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 64.22 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.5 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 75.22 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 73.34 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 74.5 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 73.23 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 64.5 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 72.42 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.34 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 73.5 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 73.41 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 75.21 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 75.5 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 74.31 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 74.3 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 73.54 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 74.2 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 75.34 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 64.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 71.14 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -66.9 -31.05 71.39 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 75.0 110.093 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.8 79.64 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.108 0.48 . . . . 74.31 110.44 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.11 -40.76 96.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.057 -0.72 . . . . 62.13 109.057 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.97 92.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.499 -0.556 . . . . 74.12 109.499 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.81 90.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.011 -0.431 . . . . 73.45 111.584 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -62.49 -39.73 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.395 -0.82 . . . . 74.33 110.531 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.2 m -74.87 -20.92 59.53 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.587 -0.733 . . . . 73.4 112.627 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 6.01 43.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.554 0.692 . . . . 73.13 111.555 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -81.0 153.32 27.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.078 0.466 . . . . 73.15 110.51 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -61.71 -29.07 69.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.148 0.499 . . . . 71.44 111.145 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -80.76 104.07 11.03 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.111 -1.44 . . . . 75.2 107.111 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -59.62 150.29 67.24 Favored Pre-proline 0 C--O 1.251 1.164 0 N-CA-C 109.235 -0.654 . . . . 73.11 109.235 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.9 169.38 16.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.227 -1.382 . . . . 75.14 109.652 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.48 148.7 41.06 Favored 'General case' 0 C--O 1.198 -1.64 0 CA-C-O 121.816 0.817 . . . . 75.3 110.985 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.44 -27.97 22.39 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.289 -1.323 . . . . 74.43 107.447 171.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.17 179.49 7.34 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.128 -1.434 . . . . 71.13 107.128 172.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 118.873 0.761 . . . . 75.31 111.831 174.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 CA-C-O 118.204 -1.331 . . . . 72.44 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.95 70.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.566 1.183 . . . . 71.21 110.124 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.4 mtm -135.19 172.56 12.84 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.451 -1.685 . . . . 74.14 106.451 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.82 161.03 29.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.71 -1.218 . . . . 63.04 107.71 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -62.04 -43.42 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.809 0.67 . . . . 74.44 112.809 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.91 156.8 0.13 Allowed Pre-proline 0 CA--C 1.554 1.116 0 O-C-N 124.873 1.358 . . . . 71.24 112.346 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.52 -16.97 21.24 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 CA-C-O 122.332 0.888 . . . . 74.21 112.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -92.55 41.57 1.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.753 -1.112 . . . . 53.03 113.621 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -69.84 154.81 41.47 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 118.802 -1.159 . . . . 73.55 108.83 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.31 74.11 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' HA ' HD13 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 72.43 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 74.15 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 1.419 ' HB3' ' CB ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 75.13 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 74.52 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 72.41 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 75.11 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.42 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 72.44 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.32 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 63.01 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 73.3 113.931 -172.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 73.13 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 71.15 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 73.42 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 74.32 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 74.03 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.43 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 75.52 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 74.31 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 75.45 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 73.15 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 74.44 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 74.51 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 52.23 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 71.33 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 74.34 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.32 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 71.34 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 72.21 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 74.01 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 73.23 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 71.42 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 44.21 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -73.01 -31.68 64.64 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.41 108.48 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.99 86.96 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 122.992 0.183 . . . . 71.04 110.76 174.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.87 -47.15 86.92 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.607 -0.886 . . . . 74.01 108.607 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.74 88.61 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.994 -0.548 . . . . 74.23 111.021 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.571 -0.159 . . . . 71.4 110.571 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.4 80.46 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.019 -0.672 . . . . 72.02 109.999 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 t -64.12 -22.68 67.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.69 0.255 . . . . 62.43 111.69 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -1.56 48.51 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.15 0.796 . . . . 71.45 113.15 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 t -145.36 147.1 31.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.796 1.035 . . . . 63.55 113.796 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -75.11 -23.44 57.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.317 -0.856 . . . . 74.53 109.04 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 t -78.77 134.71 37.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.349 0.595 . . . . 73.33 110.235 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -90.58 149.8 41.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.778 -0.646 . . . . 65.54 109.607 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.43 -2.81 12.56 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 N-CA-C 114.789 1.034 . . . . 54.15 114.789 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.54 159.26 15.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.376 -0.602 . . . . 73.41 109.376 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -89.23 -28.19 20.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.065 -1.087 . . . . 72.23 108.065 168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.12 160.98 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 75.21 110.328 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--O 1.243 0.763 0 N-CA-C 104.978 -2.23 . . . . 73.54 104.978 179.051 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 CA-C-O 119.267 -0.741 . . . . 70.21 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 -45.6 14.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 117.909 0.854 . . . . 73.31 111.142 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 mmt -79.84 -23.18 42.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.027 0.751 . . . . 74.01 113.027 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.38 29.81 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.626 -1.25 . . . . 62.21 107.626 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -134.95 133.45 39.56 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.196 -1.039 . . . . 75.13 108.196 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.29 -45.1 0.58 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.829 0.705 . . . . 71.45 111.607 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.9 152.9 41.85 Favored 'Trans proline' 0 C--N 1.363 1.291 0 C-N-CA 113.665 -3.757 . . . . 73.05 114.278 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -97.18 -60.87 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.458 -0.792 . . . . 75.51 109.122 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -82.71 146.1 29.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.844 -0.799 . . . . 74.51 108.844 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.0 93.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.221 0.452 . . . . 75.01 112.221 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 74.0 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 74.31 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 71.43 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.03 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 72.32 112.307 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 71.43 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 71.42 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 62.43 112.407 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 71.32 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 75.14 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 73.45 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 73.11 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 75.03 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 72.44 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 72.35 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 54.24 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 63.43 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 73.14 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 75.23 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 70.12 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 75.22 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 73.12 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 74.14 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 73.22 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 71.34 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 75.33 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 73.23 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.3 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 73.15 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 75.45 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 71.45 112.769 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 71.22 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.25 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -70.23 -29.67 66.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 75.24 111.442 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.51 79.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.432 -0.349 . . . . 73.21 110.08 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -39.16 86.59 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.818 -0.438 . . . . 75.43 109.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.16 83.05 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 117.746 0.248 . . . . 53.3 110.408 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -26.3 66.56 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.922 0.391 . . . . 71.22 111.769 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -87.81 -15.77 35.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.902 0.704 . . . . 74.42 112.902 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -73.64 -24.07 59.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.196 0.522 . . . . 72.12 109.632 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 140.52 56.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.877 -0.786 . . . . 74.43 108.877 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.5 m -140.06 176.8 8.45 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.533 -1.284 . . . . 74.31 107.533 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -73.84 -16.46 61.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.549 0.69 . . . . 73.25 109.893 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 152.06 46.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.373 -0.973 . . . . 72.34 108.373 176.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 149.82 89.23 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.383 -0.599 . . . . 72.45 109.383 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.8 173.18 14.47 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 117.405 -1.263 . . . . 74.21 111.355 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -127.98 165.74 19.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.063 -2.199 . . . . 73.24 105.063 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -82.05 154.53 25.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 109.474 -0.565 . . . . 75.15 109.474 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -122.56 169.62 10.83 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 106.836 -1.542 . . . . 70.51 106.836 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.598 -1.192 . . . . 75.31 111.811 -175.092 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.051 -0.861 . . . . 73.51 111.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.35 -14.25 58.5 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.262 0.838 . . . . 55.01 113.262 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -130.42 166.92 19.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.644 -0.873 . . . . 74.44 108.644 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.84 150.1 50.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.909 -1.885 . . . . 74.03 105.909 174.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.42 161.35 36.55 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.203 -1.036 . . . . 73.55 108.203 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.87 158.47 70.4 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.413 -1.699 . . . . 75.01 106.413 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -66.63 132.99 30.43 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 117.618 -1.121 . . . . 74.43 111.312 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -80.9 -50.59 9.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.927 -1.138 . . . . 74.21 107.927 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.4 p -100.89 156.6 17.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.83 0.824 . . . . 64.03 111.106 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.05 71.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 62.54 112.983 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 72.12 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 74.24 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 74.22 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 75.24 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 72.03 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 72.54 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 74.34 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 75.51 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 74.35 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 75.23 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 74.12 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 61.23 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 70.1 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 75.41 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.34 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 71.52 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 52.04 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 65.31 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 73.11 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 74.44 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 71.52 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.44 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 74.24 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.23 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 64.51 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 75.41 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 65.25 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 74.22 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 74.21 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 74.52 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 72.51 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 75.32 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 75.33 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 73.04 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.54 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 67' ' ' SER . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 66' ' ' SER . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 73.33 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 74.01 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 61.31 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 72.53 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -30.18 69.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 74.44 112.472 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.83 -44.73 61.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.422 0.63 . . . . 53.44 109.309 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.23 -33.89 75.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.805 0.842 . . . . 75.14 110.675 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.2 -22.75 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.303 0.641 . . . . 71.4 112.096 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.92 77.09 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.229 -0.919 . . . . 72.53 110.336 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.66 -29.58 45.81 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.485 -0.561 . . . . 74.33 109.485 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 t -64.42 -41.83 96.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.525 -0.47 . . . . 55.31 109.986 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.24 62.05 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.665 0.745 . . . . 64.2 112.165 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -81.93 140.54 33.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.574 -0.739 . . . . 64.05 109.89 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.95 145.33 46.42 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.533 -0.543 . . . . 73.34 109.533 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.2 m -97.74 154.02 17.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.664 -0.243 . . . . 65.52 110.639 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -72.54 149.99 91.16 Favored Pre-proline 0 N--CA 1.455 -0.2 0 N-CA-C 104.514 -2.402 . . . . 74.23 104.514 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.38 143.04 56.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 114.772 -3.019 . . . . 75.02 113.963 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -156.77 175.78 13.61 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 104.903 -2.258 . . . . 74.43 104.903 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -77.33 159.24 29.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.382 -0.229 . . . . 72.3 110.382 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.31 143.16 53.89 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.991 -1.114 . . . . 73.44 107.991 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.255 1.39 0 CA-C-O 117.534 -1.222 . . . . 75.03 112.694 -173.058 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 CA-C-O 118.903 -0.943 . . . . 61.3 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.75 146.23 54.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 117.885 0.842 . . . . 73.31 111.058 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -82.57 -12.86 57.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.905 0.705 . . . . 71.34 112.905 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.34 141.99 58.56 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.387 -0.597 . . . . 75.22 109.387 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -84.9 -50.9 7.13 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.996 -0.282 . . . . 75.43 110.916 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.78 160.86 17.35 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 104.705 -2.331 . . . . 55.25 104.705 -175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -74.01 168.81 23.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 O-C-N 122.722 0.854 . . . . 60.3 111.443 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -88.65 -55.72 3.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.976 -0.379 . . . . 75.42 109.976 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -92.92 155.89 17.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.216 1.008 . . . . 73.13 112.023 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.84 85.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 71.13 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.23 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 74.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 73.43 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 72.1 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.44 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 60.45 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.31 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 73.13 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 75.3 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 73.34 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 74.2 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 60.23 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 65.32 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 74.4 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 75.32 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 73.43 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 75.34 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 75.5 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 72.04 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 74.42 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 63.43 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 74.24 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 74.01 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 75.23 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 71.31 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 74.41 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 72.33 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.54 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 73.4 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 62.51 112.367 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 55.03 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 61.23 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 75.23 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -72.34 -23.69 61.18 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.14 74.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.9 -0.778 . . . . 73.22 108.9 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -22.93 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.62 -0.718 . . . . 75.23 111.424 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.39 -25.61 50.4 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.881 0.697 . . . . 73.32 112.881 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.19 79.75 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.721 0.296 . . . . 74.15 110.901 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -69.75 -28.3 65.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.21 0.528 . . . . 73.31 110.19 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 t -84.06 -9.13 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 70.21 111.849 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.8 31.66 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.297 1.039 . . . . 71.43 113.253 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.8 p -89.44 164.59 14.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.403 -0.591 . . . . 75.41 109.403 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -77.11 164.28 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.826 -0.546 . . . . 74.24 110.317 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -78.61 142.62 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.352 -0.61 . . . . 64.32 109.352 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -64.93 152.36 91.08 Favored Pre-proline 0 C--O 1.244 0.774 0 N-CA-C 108.794 -0.817 . . . . 75.54 108.794 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.21 153.52 56.68 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 116.405 -1.93 . . . . 73.35 111.625 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -151.6 155.49 38.53 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 106.62 -1.622 . . . . 64.32 106.62 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -97.79 -28.6 13.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.796 0.808 . . . . 71.31 112.018 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -122.19 160.06 25.96 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.542 -1.281 . . . . 73.22 107.542 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 116.499 -1.715 . . . . 73.25 111.22 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 118.864 -0.964 . . . . 40.13 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.34 171.69 15.6 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.137 -2.171 . . . . 55.41 105.137 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.1 mtp -76.47 156.44 33.03 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.646 -0.872 . . . . 75.42 108.646 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.9 -24.71 66.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.388 0.884 . . . . 75.42 113.388 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -145.06 138.0 26.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.003 -0.74 . . . . 74.3 109.003 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' H ' ' HD2' ' A' ' 7' ' ' PRO . . . -122.93 -43.72 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.289 0 O-C-N 124.479 1.112 . . . . 75.13 112.811 175.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 6' ' ' ALA . 86.1 Cg_endo -71.35 154.38 61.1 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 115.002 -2.865 . . . . 74.44 113.441 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -170.85 -10.77 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 114.704 1.372 . . . . 71.42 114.704 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 t -73.25 149.39 42.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.961 0.886 . . . . 71.22 113.059 -172.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.52 85.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 75.11 114.452 -175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 74.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 75.52 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 74.35 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 73.12 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 73.03 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 64.5 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 74.11 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.34 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 70.01 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 74.41 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 74.0 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 71.44 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 74.44 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 74.4 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 75.32 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 73.21 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 71.34 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 72.34 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 75.54 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 71.02 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 71.23 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 74.0 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.53 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 75.14 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.52 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 73.33 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 72.43 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.52 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.21 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.31 -28.83 66.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.95 -38.92 83.38 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.466 -0.568 . . . . 63.02 109.466 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.3 mt -68.72 -36.09 77.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.069 -0.394 . . . . 73.35 111.439 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.72 69.43 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.15 0.18 . . . . 74.23 111.233 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.39 72.56 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.537 0.208 . . . . 61.53 111.069 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -69.89 -34.19 73.22 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.63 -0.507 . . . . 74.35 109.63 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 m -75.91 -19.73 58.58 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 121.275 0.56 . . . . 73.4 112.349 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.34 56.45 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.866 -0.606 . . . . 71.13 110.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.6 t -84.7 134.22 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.99 -0.374 . . . . 62.32 109.99 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.62 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 74.14 110.329 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.4 t -86.7 138.24 31.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.343 -0.984 . . . . 64.31 108.343 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -62.97 149.54 90.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 109.708 -0.478 . . . . 74.11 109.708 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.31 154.5 56.3 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 118.029 -0.847 . . . . 61.12 112.775 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -143.29 173.18 11.83 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.032 0.533 . . . . 74.44 110.178 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -85.71 -31.0 22.69 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.566 -1.197 . . . . 74.42 110.521 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.7 150.86 42.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.027 -0.988 . . . . 72.34 109.814 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.245 0.844 0 CA-C-O 115.8 -2.048 . . . . 74.1 107.474 -177.687 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 CA-C-O 118.381 -1.233 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 157.52 33.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.658 -1.608 . . . . 73.11 106.658 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -86.06 -7.26 58.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.552 0.575 . . . . 70.34 112.552 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.56 165.86 34.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.448 -1.315 . . . . 75.01 107.448 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.31 161.1 31.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 70.31 111.505 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.86 161.16 72.36 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.32 -0.855 . . . . 64.13 108.771 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.08 164.06 31.61 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 117.849 -0.967 . . . . 63.2 111.073 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -84.77 -61.79 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.175 -0.676 . . . . 73.22 109.175 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -85.76 139.9 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.904 -1.147 . . . . 64.33 107.904 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.39 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 73.3 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 72.54 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.2 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 70.04 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 75.44 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 74.44 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 72.44 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 75.35 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 74.35 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 74.52 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 74.03 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 75.0 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 70.14 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 61.1 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 64.35 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 71.44 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 65.44 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 73.32 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 74.33 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 72.52 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 75.45 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 64.12 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 73.52 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 73.4 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.33 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 73.05 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.43 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 71.1 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -71.05 -28.22 64.21 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 74.12 111.184 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.65 70.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.744 0.275 . . . . 73.34 111.744 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -28.41 69.43 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.034 0.445 . . . . 74.45 111.71 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.15 63.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.351 0.871 . . . . 55.5 113.351 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.8 76.04 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.6 -0.688 . . . . 74.32 112.667 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -69.27 -15.87 63.45 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.905 0.706 . . . . 75.23 112.905 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.2 t -85.45 -36.12 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.641 -0.503 . . . . 70.31 109.641 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.02 -34.24 61.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 65.04 110.015 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -126.4 99.59 5.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.837 -0.801 . . . . 74.31 108.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -67.87 -19.35 65.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 74.33 111.915 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -71.21 129.03 37.86 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.41 -0.959 . . . . 75.32 108.41 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -77.91 145.61 70.38 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.959 -0.564 . . . . 74.51 110.869 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.89 163.81 34.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 CA-C-O 121.377 0.49 . . . . 75.41 112.219 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.71 -27.42 66.8 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.042 0.449 . . . . 64.23 112.135 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -141.32 128.54 20.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.127 -0.694 . . . . 73.0 109.127 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.85 -2.47 58.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.593 1.187 . . . . 75.31 109.013 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 tptm . . . . . 0 C--O 1.255 1.387 0 CA-C-N 114.124 -1.398 . . . . 72.43 112.016 -178.025 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 N-CA-C 111.363 -0.695 . . . . 73.15 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.51 81.39 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.908 0.854 . . . . 72.54 112.029 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 ttm -98.52 143.66 28.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.58 -1.267 . . . . 75.35 107.58 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.19 165.59 31.39 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.903 -1.518 . . . . 71.13 106.903 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -116.13 -92.62 0.51 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.881 -1.155 . . . . 73.32 107.881 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.26 155.51 15.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 104.285 -2.487 . . . . 73.44 104.285 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.63 157.83 51.74 Favored 'Trans proline' 0 C--N 1.344 0.298 0 O-C-N 122.897 0.946 . . . . 74.23 110.931 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.06 -65.05 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.062 0.458 . . . . 70.43 110.775 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -75.2 146.07 41.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.256 0.55 . . . . 64.12 109.575 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.17 68.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.212 0.529 . . . . 65.03 112.396 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 63.04 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 71.11 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 75.04 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 75.12 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 74.01 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 71.33 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.42 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 75.03 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 72.22 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.44 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 71.35 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 64.34 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 74.44 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 65.3 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 75.53 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 75.04 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.51 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 73.53 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 73.14 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 73.04 110.472 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 73.53 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 72.01 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 73.33 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 74.13 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 62.52 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 74.02 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 74.5 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 74.15 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -71.58 -25.76 62.33 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 75.15 111.552 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.49 73.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.228 0.537 . . . . 54.14 109.57 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.26 -22.86 64.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.026 -0.534 . . . . 75.13 112.014 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -16.89 42.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.932 0.493 . . . . 54.53 111.136 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -17.06 20.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.66 0.384 . . . . 55.15 112.01 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -54.19 -34.14 59.83 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 122.856 0.462 . . . . 72.12 111.373 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -69.22 -27.81 65.8 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 113.116 0.784 . . . . 74.11 113.116 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.92 -9.87 23.56 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.916 0.389 . . . . 73.33 111.075 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.0 m -83.9 157.6 21.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.315 -0.624 . . . . 65.12 109.315 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -73.86 127.92 34.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.935 -0.394 . . . . 74.52 109.935 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 m -77.67 126.58 31.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.918 0.389 . . . . 74.1 110.919 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -64.77 155.84 81.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.616 -0.883 . . . . 72.13 108.616 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.71 70.89 4.15 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 N-CA-C 114.399 0.884 . . . . 74.32 114.399 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -156.22 165.8 35.31 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 102.35 -3.204 . . . . 75.34 102.35 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.81 130.92 49.17 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.894 -0.41 . . . . 72.53 109.894 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -83.74 164.37 19.63 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 123.854 0.721 . . . . 75.12 110.132 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt . . . . . 0 C--O 1.266 1.95 0 CA-C-O 116.797 -1.573 . . . . 75.23 109.058 175.373 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.544 0 CA-C-O 118.575 -1.125 . . . . 73.12 111.711 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.84 167.18 31.13 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.356 1.078 . . . . 65.44 110.207 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mtp -127.45 135.02 49.84 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 106.45 -1.685 . . . . 74.53 106.45 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.22 61.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 119.715 -0.794 . . . . 63.15 113.03 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -130.42 152.11 50.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.637 0.653 . . . . 74.34 110.174 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 154.69 78.17 Favored Pre-proline 0 C--N 1.301 -1.514 0 O-C-N 124.529 1.143 . . . . 65.23 109.901 166.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -77.59 178.64 7.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 121.938 1.759 . . . . 73.42 112.754 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 63.38 31.59 15.06 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 124.01 1.862 . . . . 70.23 111.16 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -73.59 163.81 27.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.159 -1.382 . . . . 75.12 109.795 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -50.1 69.66 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 72.2 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 73.14 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 73.35 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 74.43 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.03 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.42 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 75.5 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 75.43 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 73.53 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 75.33 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 75.33 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 70.32 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 73.23 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 73.35 113.225 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 74.35 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 74.52 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 72.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 73.45 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 73.25 111.792 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 75.01 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 72.42 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 74.32 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 73.21 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 71.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 72.55 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 74.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 73.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 73.15 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 73.3 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 73.25 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 74.4 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 75.13 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 72.24 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 71.13 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 61.11 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 63.55 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -67.7 -31.93 72.22 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 64.11 111.071 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.95 77.99 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.93 0.786 . . . . 74.24 109.647 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.72 -43.02 99.65 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.201 1.0 . . . . 75.21 109.107 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.24 82.99 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.557 -0.747 . . . . 74.21 110.91 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.0 90.95 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.928 -1.108 . . . . 70.43 109.368 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.05 -41.1 91.27 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 112.495 0.554 . . . . 74.34 112.495 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -67.06 -24.22 65.95 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.092 -1.043 . . . . 74.42 112.067 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.27 -7.73 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.641 -0.824 . . . . 71.21 109.825 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.1 m -72.78 148.59 44.43 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.651 0.66 . . . . 73.52 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -81.36 -33.8 32.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.615 1.197 . . . . 74.44 111.374 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 p -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 107.652 -1.24 . . . . 61.21 107.652 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -67.71 153.3 95.31 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 108.746 -0.835 . . . . 73.03 108.746 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.8 157.58 43.52 Favored 'Trans proline' 0 C--O 1.244 0.789 0 C-N-CA 115.404 -2.597 . . . . 74.24 112.753 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -117.72 162.61 17.78 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.631 -0.507 . . . . 73.31 109.631 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.43 164.87 37.75 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.218 -1.771 . . . . 65.44 106.218 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.04 154.8 27.06 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.884 -1.154 . . . . 72.34 107.884 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 tptt . . . . . 0 C--O 1.269 2.112 0 CA-C-N 115.835 -0.621 . . . . 72.33 111.507 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 117.747 -1.585 . . . . 61.45 110.795 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.38 4.96 11.62 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 118.919 1.359 . . . . 62.23 113.061 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.8 ptp 65.21 -29.58 0.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 117.318 2.34 . . . . 74.45 117.318 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.28 156.3 22.54 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 108.04 -1.096 . . . . 52.44 108.04 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.11 159.72 39.99 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 108.465 -0.939 . . . . 71.35 108.465 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.16 45.59 Favored Pre-proline 0 C--N 1.308 -1.208 0 N-CA-C 106.862 -1.533 . . . . 71.13 106.862 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -66.4 162.46 36.33 Favored 'Trans proline' 0 C--O 1.2 -1.394 0 N-CA-C 118.631 2.512 . . . . 73.53 118.631 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.64 35.49 2.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.835 -1.53 . . . . 75.1 107.024 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.59 159.31 33.29 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.527 -0.76 . . . . 70.45 112.006 -173.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.98 72.21 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 71.4 114.183 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 70.43 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 72.24 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 64.22 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 74.5 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 73.34 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 62.4 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 75.3 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 74.1 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 72.13 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.31 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 73.21 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 53.14 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 74.05 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 74.32 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 71.51 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 73.32 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 73.24 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 73.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 71.41 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 64.21 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 65.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 65.34 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.52 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 75.42 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 64.33 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 65.11 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.76 -32.36 72.91 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 70.32 110.481 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.13 75.66 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 116.735 -0.211 . . . . 74.05 111.05 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.31 -43.99 69.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.022 -0.362 . . . . 71.04 110.022 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.85 92.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.898 -0.408 . . . . 63.13 109.898 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -27.18 66.33 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.776 -0.647 . . . . 71.11 111.563 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -78.82 -29.28 44.66 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.896 -0.502 . . . . 72.05 110.993 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.3 p -91.52 -21.39 20.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.711 -0.395 . . . . 73.53 110.913 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.51 144.6 27.85 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.682 0.754 . . . . 71.33 110.158 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -86.34 -13.85 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 73.13 111.476 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -136.51 160.72 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.22 109.87 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -72.94 161.39 30.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.786 0.679 . . . . 72.01 109.313 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -76.02 156.25 84.23 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 107.982 -1.118 . . . . 74.45 107.982 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 160.01 49.79 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 117.263 -1.358 . . . . 73.02 111.337 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -75.97 165.1 25.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.778 -1.564 . . . . 75.44 106.778 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.79 142.45 58.19 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.501 -0.925 . . . . 72.12 108.501 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -76.33 164.18 26.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.166 -1.379 . . . . 71.22 111.814 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 tptt . . . . . 0 C--O 1.251 1.133 0 N-CA-C 105.462 -2.051 . . . . 75.35 105.462 177.27 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 CA-C-O 118.193 -1.337 . . . . 70.3 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.95 56.93 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 118.026 0.913 . . . . 74.13 112.657 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.7 mmt 61.93 58.13 1.98 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.996 0.903 . . . . 70.42 110.768 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.66 149.74 39.29 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.825 -1.176 . . . . 74.1 107.825 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -122.96 -16.8 6.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.577 1.325 . . . . 73.0 114.577 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.82 148.17 0.09 OUTLIER Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 118.27 2.693 . . . . 75.55 118.27 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.26 161.96 34.43 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 116.667 -1.755 . . . . 75.24 114.788 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -110.12 -50.14 3.0 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.419 1.104 . . . . 73.0 111.327 173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.0 t -88.39 148.55 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.875 -1.141 . . . . 74.13 109.266 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.85 70.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.517 -0.74 . . . . 64.5 110.035 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 72.33 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 73.13 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 54.23 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 74.43 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 74.11 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 73.12 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 73.42 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 63.33 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 73.13 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 74.12 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 71.01 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 62.34 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 74.34 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 65.02 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 73.34 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 55.33 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 72.22 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 73.51 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 75.25 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 73.53 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 73.43 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 74.43 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 75.22 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 73.1 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 75.42 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 74.43 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 64.45 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 65.1 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.15 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 75.33 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 64.23 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.51 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 73.25 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 74.32 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 73.0 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 73.03 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.36 74.48 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.206 -1.035 . . . . 73.55 108.206 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.64 -31.83 68.9 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.408 0.623 . . . . 75.31 110.769 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.03 82.35 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 122.165 0.983 . . . . 64.52 110.327 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.73 75.84 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.356 -0.84 . . . . 62.32 111.229 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -65.8 -38.4 88.87 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.156 -0.683 . . . . 74.1 109.156 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 8.6 t -65.52 -28.72 69.39 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-O 121.178 0.513 . . . . 74.51 110.403 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.1 0.39 56.06 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 120.959 -1.088 . . . . 73.33 111.522 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -84.66 169.93 13.82 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.955 0.798 . . . . 71.53 112.75 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -64.49 -39.93 94.71 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.699 1.238 . . . . 72.41 108.522 170.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.7 t -81.61 103.79 11.57 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 107.223 -1.399 . . . . 74.11 107.223 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -62.8 147.24 93.87 Favored Pre-proline 0 C--O 1.256 1.407 0 O-C-N 124.376 1.048 . . . . 75.15 110.737 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 74.3 Cg_endo -76.52 -11.82 18.72 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 116.559 -1.827 . . . . 71.41 113.793 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.0 144.71 45.31 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.717 -1.216 . . . . 72.22 107.717 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 54.59 32.48 17.14 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.014 2.071 . . . . 72.52 112.193 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.46 146.85 28.17 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.658 -0.651 . . . . 73.13 110.701 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm . . . . . 0 C--O 1.276 2.458 0 CA-C-O 115.358 -2.258 . . . . 74.4 107.235 175.375 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 61.22 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 63.54 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 71.41 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 65.11 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 63.05 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 71.42 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 55.22 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 72.3 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 70.31 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 71.24 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 72.12 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 72.44 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 74.34 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 65.21 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 52.4 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 41.4 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 71.44 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 63.03 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 72.24 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.24 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 72.13 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.33 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 52.13 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 62.1 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 63.32 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 73.25 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 70.12 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 35.14 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 71.41 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 70.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 42.51 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 73.53 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 62.33 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 72.31 111.355 -179.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 113.811 1.041 . . . . 54.43 113.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 63.05 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 72.32 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 71.04 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 71.34 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 62.44 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 64.13 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 70.02 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 71.11 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 65.21 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 62.33 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.13 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 72.53 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 71.3 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 74.42 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 61.1 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 72.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 71.41 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.44 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 52.45 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 71.2 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 63.33 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 71.14 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 61.13 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 63.25 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 64.24 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 64.42 110.7 -178.409 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.229 0.455 . . . . 43.21 112.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.13 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 73.24 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 54.25 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 61.24 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 64.04 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 52.45 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 72.54 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.11 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 55.23 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 52.34 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 71.21 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 72.13 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 62.02 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 34.13 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 73.45 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 45.41 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 72.32 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 62.21 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 65.55 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 73.53 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 71.42 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 44.15 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 71.23 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 64.02 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 64.11 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 63.14 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 53.43 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 61.54 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 60.22 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 43.51 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 55.44 110.637 179.355 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.218 0.451 . . . . 54.21 112.218 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 74.32 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 64.25 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.22 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 54.31 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 51.33 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.11 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 54.15 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 55.43 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 74.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 63.24 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 70.45 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 62.54 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 53.14 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 61.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 61.41 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 64.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 61.33 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 73.33 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 61.22 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 65.2 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 53.41 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 44.4 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 62.04 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 64.21 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 60.51 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.15 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 55.23 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 61.22 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 43.5 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 63.25 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 63.43 111.692 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 63.34 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 72.43 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 65.35 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 62.3 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 60.22 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 63.02 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 22.35 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 73.32 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 50.2 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 71.31 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 73.5 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 60.44 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 65.13 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 63.0 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 61.41 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 64.15 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 71.44 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 71.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 53.44 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 63.13 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 64.21 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 53.31 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 54.52 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 51.55 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 72.25 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 63.15 109.833 178.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 64.23 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 61.24 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 42.23 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 61.04 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 73.34 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 43.24 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 62.21 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 72.44 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 72.44 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 32.21 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 52.23 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 72.44 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 60.42 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 63.0 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 64.04 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 64.3 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 63.11 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 72.54 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.02 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 72.22 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 72.44 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 34.35 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 63.43 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 71.13 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 71.42 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 73.53 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 63.35 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 63.15 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 73.03 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 42.34 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 70.41 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 . . . . . 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 73.34 109.841 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 42.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 52.44 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 64.34 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 45.33 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 62.3 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 71.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.1 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 62.4 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 62.44 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 62.23 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 65.21 110.88 178.456 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 54.53 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 71.35 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 73.01 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 65.14 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 35.05 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 62.44 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 70.2 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 72.34 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 73.51 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.35 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 62.11 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 24.14 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 65.01 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 73.53 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 62.3 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.43 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 60.21 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 64.32 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 45.22 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 72.25 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 61.25 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 33.4 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 54.14 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.0 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 53.1 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 72.3 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 51.43 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 73.31 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.41 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 62.04 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 54.12 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.22 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 71.02 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 54.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 53.42 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 62.32 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 55.42 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA2' ' A' ' 39' ' ' GLY . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 65.13 109.706 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 51.42 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.22 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 54.11 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 64.33 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 55.04 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 64.21 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 72.21 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.21 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 65.33 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 63.4 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 64.43 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 61.21 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 62.31 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 63.22 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 51.03 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 61.13 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 54.53 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.634 0.605 . . . . 55.12 112.634 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 70.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 53.11 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 70.12 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 72.12 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 61.45 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 44.23 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.34 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 65.23 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 65.12 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 73.31 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 63.13 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 63.34 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 65.45 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.22 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 65.52 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 61.34 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 64.52 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 73.04 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 64.54 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 73.11 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 62.22 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 43.21 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 65.03 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 54.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 61.42 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 73.53 110.093 178.693 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 71.33 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 71.33 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 70.14 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 71.43 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 71.15 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 70.42 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.33 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 65.5 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.14 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 35.21 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 70.15 113.931 -172.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 64.25 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 70.22 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 70.5 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 72.11 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 33.34 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.14 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 63.41 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 71.53 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 62.52 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 65.41 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 54.21 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 71.32 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 23.43 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 64.2 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 64.41 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.05 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 54.21 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 65.2 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 71.45 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 42.54 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 62.13 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 35.02 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.13 108.48 179.068 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.221 0.452 . . . . 63.34 112.221 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 72.51 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 73.11 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 64.01 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.02 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 53.13 112.307 -177.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 70.02 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 34.1 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 20' ' ' ALA . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 54.43 112.407 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 65.22 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 61.05 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 65.11 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 62.4 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 73.24 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 63.51 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 71.55 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 50.21 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 35.1 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 71.21 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 72.3 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 64.13 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 73.51 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 63.31 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 72.01 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 63.4 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 65.24 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 74.45 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 52.5 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.15 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 62.23 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 70.34 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 33.31 112.769 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 65.01 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.04 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 70.53 111.442 -179.008 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 53.11 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 65.32 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 71.44 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 73.05 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 73.42 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 71.34 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 62.52 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 73.11 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 52.25 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 64.21 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 72.44 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 70.1 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 51.13 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 63.42 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 74.15 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.13 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 70.23 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 30.2 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 44.34 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 61.51 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 72.52 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 54.51 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.42 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 63.53 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.22 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 60.12 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 72.2 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 64.45 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 61.33 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 64.32 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 64.15 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 71.31 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 60.12 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 44.23 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 72.43 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.32 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 63.53 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 54.31 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 60.44 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 50.24 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 72.23 112.472 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 44.43 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.22 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 73.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 72.01 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 65.21 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.1 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 44.33 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.13 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 53.51 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 72.23 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 64.33 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 72.12 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 53.34 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 64.23 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 63.22 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 74.13 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 34.03 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 72.42 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 53.21 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 70.34 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 41.12 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 60.1 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 73.52 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 72.44 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 65.21 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 64.55 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 70.42 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 63.31 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.45 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 72.33 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 61.52 112.367 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 44.01 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 51.25 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 74.22 114.452 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 61.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 72.05 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 65.43 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 44.42 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 72.04 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 52.21 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 53.21 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.31 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 51.21 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 64.1 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 73.22 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 64.43 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 64.5 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 71.1 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 71.43 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 71.24 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 64.33 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 65.02 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 62.34 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 64.31 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 64.14 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 72.33 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.43 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 72.33 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.11 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 64.02 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 70.53 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.24 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.11 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 60.21 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 70.21 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.11 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 50.31 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 51.13 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 73.24 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 64.41 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 74.11 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 63.43 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 71.2 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 70.42 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 52.53 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 42.02 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 54.54 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 62.44 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 62.3 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 55.51 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 72.42 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 71.54 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 71.03 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 64.31 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 54.14 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 63.31 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 64.24 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.01 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 71.43 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.11 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 70.55 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 73.24 111.184 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.212 0.529 . . . . 52.43 112.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 43.13 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 62.51 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 64.35 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 73.21 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 62.42 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 70.24 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.04 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 62.01 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 71.12 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.24 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 64.5 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 24.51 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 62.12 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 64.4 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 73.24 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 73.43 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.13 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 65.34 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 64.54 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 63.22 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 71.03 110.472 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 44.23 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 52.22 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 72.5 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 72.11 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 52.12 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 72.14 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 42.41 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 72.14 111.552 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 63.13 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 65.34 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 52.15 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 51.32 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.02 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.04 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 64.34 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 53.44 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 64.45 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 54.23 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 61.21 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.44 HG13 HD11 ' A' ' 37' ' ' LEU . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 44.53 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 47' ' ' LEU . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 54.45 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD11 HG13 ' A' ' 28' ' ' VAL . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 60.02 113.225 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 73.11 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 61.21 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 61.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 72.24 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD22 ' CE1' ' A' ' 34' ' ' PHE . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 71.15 111.792 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 60.35 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 70.24 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 73.02 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 65.41 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 54.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 71.13 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 63.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 71.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 63.1 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 72.34 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 72.42 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 64.03 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 64.43 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 61.04 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 51.42 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 54.21 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 62.01 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 60.24 111.071 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 62.05 114.183 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 62.11 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 52.44 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 51.31 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 64.23 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 65.01 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 52.22 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 73.23 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 54.33 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 65.35 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.22 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 63.14 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 31.44 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 61.02 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 72.12 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 62.21 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 71.4 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 60.42 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 72.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 64.34 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 65.14 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 61.42 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 54.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 53.25 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.32 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 64.43 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 54.51 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 62.23 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 63.15 110.481 179.625 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 121.163 0.506 . . . . 64.5 110.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 43.22 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 63.21 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 43.33 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 61.03 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 73.34 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 61.3 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 63.43 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 61.43 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 61.52 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 61.45 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 51.52 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 55.35 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 71.01 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 52.34 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 62.43 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 23.34 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 65.13 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 61.12 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 74.31 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 71.52 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 55.12 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 64.12 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 70.44 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 64.3 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 74.13 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 60.23 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 61.35 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 55.4 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.12 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 73.22 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 60.32 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.01 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 71.12 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 53.31 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 72.41 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 72.41 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 154.96 33.26 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.309 0.576 . . . . 0.0 110.315 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.7 mtt -93.17 -2.89 54.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.9 80.51 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.716 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 51.63 47.12 25.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 123.05 1.405 . . . . 0.0 111.361 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 150.94 96.43 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.329 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -79.19 160.87 26.38 Favored 'Trans proline' 0 C--N 1.347 0.472 0 N-CA-C 113.994 0.728 . . . . 0.0 113.994 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 30' ' ' VAL . 20.3 pt-20 -93.33 137.17 32.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 t -88.67 170.54 10.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.1 -48.28 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG11 ' HA ' ' A' ' 8' ' ' GLU . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -73.85 -31.57 63.25 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.52 85.51 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.22 -43.43 95.0 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.307 0.575 . . . . 0.0 109.533 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.22 69.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.276 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -25.75 68.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.089 -0.382 . . . . 0.0 111.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.14 -9.68 58.76 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -72.74 -14.1 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.81 151.68 40.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 p -67.4 104.25 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -142.51 134.58 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -84.73 117.88 24.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -70.67 151.76 95.33 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.04 141.18 52.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.156 -2.096 . . . . 0.0 112.638 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -81.93 172.67 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.867 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -146.0 165.5 28.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -81.89 165.69 20.57 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 117.877 0.308 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--O 1.247 0.95 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.364 -176.172 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 CA-C-O 119.301 -0.722 . . . . 40.31 111.58 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.32 62.97 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.181 0.99 . . . . 70.31 110.482 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -141.4 158.06 44.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.378 -1.712 . . . . 63.22 106.378 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.07 168.7 26.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.439 -2.06 . . . . 50.03 105.439 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 160.9 31.13 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.778 -1.193 . . . . 74.12 107.778 173.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 152.98 89.22 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 105.388 -2.078 . . . . 53.53 105.388 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -69.33 139.55 42.01 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 115.315 -2.657 . . . . 63.14 111.808 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.7 -60.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.635 -0.876 . . . . 61.14 108.635 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 m -79.18 142.76 36.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.357 -0.979 . . . . 45.02 108.357 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.87 72.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 61.22 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 63.54 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 71.41 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 65.11 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 63.05 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 71.42 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 55.22 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 72.3 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 70.31 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 71.24 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 72.12 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 72.44 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 74.34 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 65.21 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 52.4 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 41.4 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 71.44 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 63.03 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 72.24 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.24 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 72.13 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.33 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 52.13 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 62.1 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 63.32 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 73.25 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 70.12 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 35.14 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 71.41 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 70.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 42.51 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 73.53 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 62.33 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.55 -29.95 69.46 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 72.31 111.355 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.63 72.12 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 121.61 0.719 . . . . 74.55 109.703 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.3 tp -71.15 -35.35 71.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.433 0.635 . . . . 62.14 111.266 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.69 78.48 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.45 -0.781 . . . . 60.13 109.26 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.83 68.77 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.56 0.578 . . . . 75.14 112.56 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -76.14 -20.68 57.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.668 0.247 . . . . 62.02 111.668 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -86.68 -28.48 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 50.21 109.951 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.13 38.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.574 . . . . 72.03 109.614 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -80.95 142.21 33.71 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -143.8 175.56 9.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.167 -1.79 . . . . 75.0 106.167 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -62.23 154.41 27.6 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 109.531 -0.544 . . . . 72.13 109.531 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -62.2 145.93 93.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 108.84 -0.8 . . . . 72.03 108.84 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.34 149.61 57.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 117.388 -1.274 . . . . 72.33 111.663 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.9 160.29 24.76 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.328 -0.99 . . . . 71.21 108.328 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -82.7 150.33 26.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.534 -0.913 . . . . 70.21 108.534 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.78 9.02 42.98 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.709 0.404 . . . . 71.23 112.068 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.25 1.128 0 N-CA-C 108.668 -0.864 . . . . 61.23 108.668 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 CA-C-O 118.822 -0.988 . . . . 74.12 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.24 160.15 29.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.748 -1.204 . . . . 63.32 107.748 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 mmt -115.7 164.17 14.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.59 123.08 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.767 -0.827 . . . . 42.41 108.767 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -94.21 136.47 34.47 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.229 -1.396 . . . . 75.23 107.229 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.92 157.96 37.46 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.785 -0.82 . . . . 63.12 108.785 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.82 148.01 35.56 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 117.264 -1.357 . . . . 72.45 111.531 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -102.17 -40.11 6.95 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.416 -0.957 . . . . 70.23 108.416 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -103.26 143.62 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.049 0.452 . . . . 61.54 111.262 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.34 86.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.811 1.041 . . . . 54.43 113.811 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 63.05 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 72.32 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 71.04 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 71.34 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 62.44 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 64.13 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 70.02 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 71.11 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 65.21 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 62.33 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.13 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 72.53 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 71.3 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 74.42 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 61.1 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 72.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 71.41 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.44 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 52.45 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 71.2 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 63.33 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 71.14 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 61.13 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 63.25 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 64.24 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -70.93 -33.22 70.29 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 64.42 110.7 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.63 94.52 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 121.304 0.573 . . . . 52.42 110.16 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.164 0.507 . . . . 74.24 110.932 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.22 78.71 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.884 -0.51 . . . . 62.53 109.716 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.16 82.51 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 122.39 -0.194 . . . . 70.11 111.472 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.28 -34.15 77.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.086 0.47 . . . . 71.1 110.538 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -73.22 -38.97 65.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.568 . . . . 71.51 111.801 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 97.81 3.36 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.839 0.352 . . . . 71.3 110.959 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.1 t -137.0 148.42 46.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.019 -0.363 . . . . 62.3 110.019 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -76.23 135.91 39.69 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.124 -0.695 . . . . 75.0 109.124 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -64.33 138.51 58.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.703 0.763 . . . . 74.14 111.472 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -81.14 154.77 72.44 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.625 -0.879 . . . . 73.3 108.625 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.03 1.72 8.37 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 N-CA-C 113.71 0.619 . . . . 64.11 113.71 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -107.09 167.44 9.9 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 106.902 -1.518 . . . . 74.45 106.902 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -99.51 147.01 25.76 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 113.327 -1.761 . . . . 72.42 108.408 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 44.07 33.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.993 2.117 . . . . 73.4 113.732 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 117.273 -1.346 . . . . 70.33 108.175 -174.622 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 119.796 -0.447 . . . . 61.44 112.633 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.89 -159.06 0.98 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 105.766 -1.939 . . . . 70.13 105.766 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -57.53 -39.73 77.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 107.988 -1.115 . . . . 72.11 107.988 173.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 125.5 33.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.254 -1.758 . . . . 64.43 106.254 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 51.25 65.77 1.39 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.725 1.009 . . . . 73.05 113.725 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.19 -48.49 94.1 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 113.864 1.061 . . . . 53.53 113.864 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.7 164.07 32.72 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 115.637 -2.442 . . . . 73.01 113.001 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -106.01 -54.73 2.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.485 -0.325 . . . . 71.42 110.939 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -102.76 152.91 20.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.077 0.769 . . . . 53.11 113.077 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.57 77.06 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.731 -0.606 . . . . 43.21 112.229 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.13 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 73.24 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 54.25 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 61.24 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 64.04 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 52.45 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 72.54 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.11 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 55.23 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 52.34 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 71.21 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 72.13 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 62.02 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 34.13 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 73.45 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 45.41 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 72.32 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 62.21 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 65.55 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 73.53 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 71.42 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 44.15 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 71.23 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 64.02 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 64.11 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 63.14 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 53.43 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 61.54 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 60.22 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 43.51 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -68.06 -30.33 69.51 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 55.44 110.637 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.16 81.67 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.672 -0.24 . . . . 73.01 110.943 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.95 -39.38 94.0 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 122.032 -0.417 . . . . 74.53 110.009 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.37 -26.25 68.36 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.56 0.578 . . . . 72.11 112.56 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.76 67.66 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.114 0.412 . . . . 63.13 112.114 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.1 -25.63 68.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.924 0.342 . . . . 64.15 111.924 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -82.5 -33.5 28.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.09 0.471 . . . . 72.42 110.05 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.48 80.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 64.45 109.965 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.7 t -160.22 137.25 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 63.43 108.336 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.22 140.9 41.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.967 -0.753 . . . . 72.32 108.967 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -60.82 125.14 22.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.404 -0.362 . . . . 65.34 110.554 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -65.77 146.06 99.0 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.872 -0.788 . . . . 64.34 108.872 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.4 164.79 30.28 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 118.128 -0.781 . . . . 71.05 112.714 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -152.46 -174.36 4.87 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.205 -1.776 . . . . 64.21 106.205 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.18 147.22 52.58 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.135 -1.802 . . . . 74.53 106.135 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -144.8 175.96 9.8 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.139 -1.06 . . . . 63.41 108.139 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 115.476 -2.202 . . . . 73.25 105.614 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 CA-C-O 118.176 -1.347 . . . . 73.3 111.158 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 151.42 45.97 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.456 -0.942 . . . . 63.33 108.456 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -156.64 154.32 29.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.364 -1.717 . . . . 65.21 106.364 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.92 21.6 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.21 0.529 . . . . 62.33 111.277 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -137.86 163.92 30.23 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.766 -0.827 . . . . 74.4 108.766 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.56 159.68 71.3 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 104.302 -2.481 . . . . 52.2 104.302 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.46 147.87 71.99 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 116.121 -2.119 . . . . 74.43 113.375 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.48 -38.33 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.491 -0.929 . . . . 62.35 108.491 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -96.83 137.84 35.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.862 0.839 . . . . 72.53 110.461 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -21.6 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.829 -0.544 . . . . 54.21 112.218 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 74.32 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 64.25 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.22 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 54.31 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 51.33 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.11 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 54.15 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 55.43 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 74.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 63.24 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 70.45 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 62.54 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 53.14 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 61.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 61.41 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 64.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 61.33 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 73.33 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 61.22 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 65.2 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 53.41 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 44.4 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 62.04 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 64.21 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 60.51 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.15 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 55.23 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 61.22 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 43.5 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 63.25 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.85 -33.8 74.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 63.43 111.692 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.61 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.685 0.755 . . . . 45.2 109.658 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.68 -42.26 95.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.179 -0.919 . . . . 75.33 109.903 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.55 84.84 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 122.0 -0.437 . . . . 72.15 110.775 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.4 98.42 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.478 0.547 . . . . 73.25 112.478 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -78.1 -19.55 53.93 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.98 -0.688 . . . . 72.23 111.824 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -84.27 -34.24 23.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.049 0.388 . . . . 73.1 112.049 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -1.34 58.02 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.184 0.516 . . . . 73.33 111.341 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -73.36 130.38 40.04 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 53.01 109.699 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -72.36 -23.31 61.11 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.177 -0.675 . . . . 75.12 109.177 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -89.45 123.32 33.48 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.761 -1.2 . . . . 74.24 107.761 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -66.81 142.75 97.66 Favored Pre-proline 0 C--O 1.239 0.544 0 CA-C-N 115.824 -0.626 . . . . 62.3 109.675 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.62 154.13 49.47 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 116.727 -1.715 . . . . 73.11 110.724 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -76.51 178.49 6.59 Favored 'General case' 0 C--O 1.196 -1.713 0 CA-C-O 122.591 1.186 . . . . 74.02 111.417 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -82.51 -17.03 46.51 Favored 'General case' 0 N--CA 1.401 -2.896 0 CA-C-N 112.142 -2.299 . . . . 62.22 111.061 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -77.43 139.14 39.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.391 -1.707 . . . . 72.1 106.391 172.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.246 0.91 0 CA-C-O 117.385 -1.293 . . . . 74.24 111.905 -174.256 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 118.693 -1.06 . . . . 71.13 111.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.39 38.26 27.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.742 0.817 . . . . 54.15 112.695 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 mtt -83.81 -16.07 45.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.629 -0.259 . . . . 73.11 110.707 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 30.93 12.0 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.084 0.865 . . . . 72.15 111.374 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.91 133.45 7.06 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 107.234 -1.395 . . . . 34.23 107.234 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.01 165.06 0.12 Allowed Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 124.99 1.431 . . . . 62.14 112.365 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.18 144.13 50.85 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 115.923 -2.251 . . . . 54.33 113.072 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -90.73 -56.73 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.319 0.581 . . . . 64.52 109.704 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -88.15 149.07 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 34.13 108.021 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.67 70.43 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 63.34 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 72.43 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 65.35 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 62.3 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 60.22 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 63.02 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 22.35 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 73.32 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 50.2 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 71.31 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 73.5 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 60.44 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 65.13 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 63.0 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 61.41 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 64.15 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 71.44 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 71.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 53.44 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 63.13 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 64.21 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 53.31 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 54.52 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 51.55 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 72.25 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -75.92 -29.9 58.55 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 63.15 109.833 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.39 87.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.539 -0.3 . . . . 44.44 110.733 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.51 -48.28 80.24 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.661 -0.649 . . . . 75.31 110.077 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.73 82.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.985 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.26 87.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.33 -0.395 . . . . 72.23 110.868 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.046 0.451 . . . . 74.44 109.79 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 m -74.31 -14.0 60.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.426 0.898 . . . . 63.05 113.426 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 54.26 59.27 4.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.354 0.662 . . . . 73.14 111.466 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -57.17 -19.54 21.04 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.27 1.211 . . . . 53.23 114.27 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -150.27 165.18 33.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.588 -2.004 . . . . 73.53 105.588 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -59.05 148.03 32.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.319 0.581 . . . . 60.14 112.541 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -70.4 151.11 95.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.684 -1.228 . . . . 72.52 107.684 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.96 43.83 1.35 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 121.001 1.134 . . . . 71.33 113.956 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.72 164.09 38.53 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.964 -1.495 . . . . 61.44 106.964 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -79.6 142.27 35.8 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.157 -1.424 . . . . 53.33 107.157 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -150.52 172.13 15.97 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 107.83 -1.174 . . . . 52.02 107.83 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.506 -0.712 0 N-CA-C 105.46 -2.052 . . . . 71.14 105.46 -179.453 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 CA-C-O 119.006 -0.885 . . . . 74.1 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 164.91 33.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.659 -1.608 . . . . 70.32 106.659 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.5 mtp -74.78 -16.36 60.72 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 117.732 0.242 . . . . 73.43 111.6 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.77 40.84 28.5 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.287 0.635 . . . . 53.24 111.08 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -133.04 155.62 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.089 -0.708 . . . . 53.31 109.089 -176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.1 166.79 20.13 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 104.727 -2.323 . . . . 42.32 104.727 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.56 171.97 9.93 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 117.286 -1.343 . . . . 43.05 113.173 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 59.27 35.7 23.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.298 1.047 . . . . 72.24 111.621 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 m -68.87 158.66 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.763 -0.829 . . . . 65.42 108.763 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.62 62.3 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 64.23 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 61.24 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 42.23 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 61.04 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 73.34 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 43.24 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 62.21 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 72.44 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 72.44 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 32.21 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 52.23 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 72.44 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 60.42 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 63.0 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 64.04 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 64.3 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 63.11 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 72.54 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.02 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 72.22 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 72.44 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 34.35 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 63.43 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 71.13 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 71.42 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 73.53 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 63.35 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 63.15 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 73.03 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 42.34 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 70.41 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -70.9 -28.97 64.93 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 73.34 109.841 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.71 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.272 0.558 . . . . 20.33 110.198 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.39 -37.79 88.65 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.862 -0.524 . . . . 74.32 110.353 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.84 74.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 122.097 -0.377 . . . . 53.1 110.153 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.87 -33.27 62.06 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.486 -0.485 . . . . 64.11 110.792 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.0 -36.28 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.778 -0.369 . . . . 62.31 110.798 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 p -78.36 -11.0 59.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.001 0.371 . . . . 72.52 112.001 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.66 164.26 26.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.251 0.548 . . . . 52.02 109.725 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -67.42 154.69 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.635 -0.711 . . . . 64.01 110.036 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 62.1 m95 67.41 14.92 9.79 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.646 1.35 . . . . 64.34 114.646 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.4 p -72.83 150.1 43.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.548 -1.279 . . . . 54.41 107.548 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -67.9 136.69 92.21 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.33 -0.619 . . . . 75.53 109.33 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.06 175.36 10.98 Favored 'Trans proline' 0 N--CA 1.469 0.083 0 CA-C-O 121.612 0.588 . . . . 71.43 112.629 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -140.92 173.96 10.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 103.922 -2.622 . . . . 75.53 103.922 172.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -98.93 124.92 44.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 124.137 0.898 . . . . 63.34 109.809 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -82.26 165.45 20.41 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.835 -1.542 . . . . 74.15 106.835 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--O 1.252 1.235 0 CA-C-O 117.554 -1.212 . . . . 65.31 111.255 -176.285 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 118.678 -1.068 . . . . 73.13 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.4 40.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.905 -1.146 . . . . 75.21 107.905 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.34 165.04 14.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.271 -1.381 . . . . 42.55 107.271 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.29 139.1 52.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.522 -1.288 . . . . 74.3 107.522 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -157.55 -95.0 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.351 0.407 . . . . 62.53 110.255 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.75 -53.84 0.01 OUTLIER Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.348 0.659 . . . . 64.41 109.461 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.3 -179.43 4.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 115.2 -2.733 . . . . 75.03 109.207 168.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 69.11 17.7 8.41 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.581 1.552 . . . . 61.3 111.109 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -72.58 135.63 45.59 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.57 -1.27 . . . . 64.11 107.57 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.41 -29.94 66.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 42.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 52.44 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 64.34 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 45.33 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 62.3 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 71.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.1 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 62.4 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 62.44 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 62.23 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 65.21 110.88 178.456 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 54.53 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 71.35 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 73.01 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 65.14 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 35.05 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 62.44 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 70.2 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 72.34 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 73.51 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.35 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 62.11 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 24.14 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 65.01 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 73.53 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 62.3 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.43 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 60.21 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 64.32 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 45.22 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 72.25 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -75.17 -29.43 60.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.28 93.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.419 -0.355 . . . . 64.02 110.949 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.33 -41.8 93.57 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.156 -0.312 . . . . 74.02 110.156 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.12 93.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.762 0.315 . . . . 74.33 110.779 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.7 94.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.47 . . . . 70.24 110.498 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.92 -37.27 85.63 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.0 -0.546 . . . . 73.43 110.767 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 t -59.26 -29.35 67.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.519 0.563 . . . . 72.44 112.519 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.33 42.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.258 0.836 . . . . 73.42 113.258 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 m -127.13 19.47 6.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.684 0.278 . . . . 53.33 111.445 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -72.92 129.91 39.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.732 -0.47 . . . . 73.31 109.732 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -91.59 172.81 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 53.33 110.624 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 152.13 60.83 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 110.072 -0.344 . . . . 73.14 110.072 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.07 -10.06 22.52 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 N-CA-C 113.826 0.664 . . . . 53.23 113.826 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -81.96 172.08 13.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.755 -0.831 . . . . 75.41 108.755 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -128.56 158.21 39.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.381 -1.34 . . . . 73.22 107.381 173.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -124.65 167.88 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.186 -1.042 . . . . 74.33 108.186 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.09 -1.433 . . . . 74.21 111.198 -176.879 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 CA-C-O 119.151 -0.805 . . . . 52.02 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.43 153.39 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.128 0.964 . . . . 62.54 109.024 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.98 3.12 33.12 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.315 0.487 . . . . 72.21 112.315 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.37 78.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.167 1.173 . . . . 74.44 114.167 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -106.35 140.33 39.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.101 0.477 . . . . 71.51 110.789 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.12 65.25 Favored Pre-proline 0 C--N 1.317 -0.81 0 N-CA-C 104.411 -2.44 . . . . 72.21 104.411 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.71 147.32 56.53 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 115.84 -2.306 . . . . 74.11 112.036 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.87 -41.68 6.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.627 -1.249 . . . . 73.44 107.627 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.1 m -103.49 150.43 23.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.302 0.572 . . . . 71.34 110.71 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.71 79.65 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 61.25 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 33.4 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 54.14 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.0 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 53.1 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 72.3 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 51.43 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 73.31 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.41 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 62.04 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 54.12 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.22 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 71.02 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 54.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 53.42 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 62.32 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 55.42 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA2' ' A' ' 39' ' ' GLY . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 65.13 109.706 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 51.42 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.22 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 54.11 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 64.33 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 55.04 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 64.21 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 72.21 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.21 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 65.33 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 63.4 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 64.43 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 61.21 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 62.31 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 63.22 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 51.03 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 61.13 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 54.53 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.29 -31.85 60.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.56 98.85 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 121.463 0.649 . . . . 75.04 110.092 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.9 tp -71.96 -33.84 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.674 0.79 . . . . 73.34 111.295 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -23.89 65.07 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 121.108 -0.995 . . . . 71.33 111.545 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.82 65.92 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.936 0.717 . . . . 71.13 112.936 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -63.54 -35.21 79.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.299 . . . . 75.14 111.165 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -79.57 -14.09 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.225 -0.443 . . . . 64.13 111.758 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.5 10.18 26.37 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.398 -0.593 . . . . 73.44 109.398 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -118.88 -174.3 2.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.26 -1.385 . . . . 71.23 107.26 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -75.05 -0.06 17.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.727 1.01 . . . . 73.2 113.727 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.55 138.08 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.197 -0.668 . . . . 53.52 109.197 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -73.09 129.27 86.52 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.931 -0.396 . . . . 61.32 109.931 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.32 172.49 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 117.478 -1.215 . . . . 54.04 110.731 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -71.26 166.06 22.34 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 121.135 0.493 . . . . 60.15 109.904 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.71 0.61 38.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.276 -0.875 . . . . 73.44 112.672 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 57.41 33.02 22.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.641 1.21 . . . . 70.14 110.614 -176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.241 0.638 0 CA-C-N 113.78 -1.554 . . . . 71.24 107.966 176.328 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 118.213 -1.326 . . . . 42.31 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.64 154.91 32.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 105.072 -2.195 . . . . 54.4 105.072 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -85.53 143.57 28.43 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.576 -0.898 . . . . 73.34 108.576 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.8 -18.28 41.1 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 123.625 0.578 . . . . 70.32 110.221 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -90.19 147.49 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.674 -0.491 . . . . 74.35 109.674 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.71 159.09 73.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 104.451 -2.425 . . . . 43.33 104.451 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.22 151.71 66.6 Favored 'Trans proline' 0 C--O 1.24 0.595 0 C-N-CA 116.865 -1.623 . . . . 75.41 112.895 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -108.76 -25.59 10.74 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.076 -0.713 . . . . 74.13 109.076 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -104.43 142.6 34.31 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.455 0.645 . . . . 73.51 110.721 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.89 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.634 0.605 . . . . 55.12 112.634 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 70.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 53.11 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 70.12 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 72.12 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 61.45 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 44.23 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.34 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 65.23 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 65.12 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 73.31 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 63.13 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 63.34 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 65.45 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.22 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 65.52 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 61.34 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 64.52 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 73.04 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 64.54 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 73.11 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 62.22 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 43.21 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 65.03 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 54.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 61.42 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -66.9 -31.05 71.39 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 73.53 110.093 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.8 79.64 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.108 0.48 . . . . 74.31 110.44 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.11 -40.76 96.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.057 -0.72 . . . . 61.3 109.057 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.97 92.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.499 -0.556 . . . . 72.43 109.499 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.81 90.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.011 -0.431 . . . . 73.45 111.584 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -62.49 -39.73 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.395 -0.82 . . . . 73.11 110.531 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.2 m -74.87 -20.92 59.53 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.587 -0.733 . . . . 73.4 112.627 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 6.01 43.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.554 0.692 . . . . 54.02 111.555 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -81.0 153.32 27.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.078 0.466 . . . . 73.15 110.51 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -61.71 -29.07 69.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.148 0.499 . . . . 71.44 111.145 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -80.76 104.07 11.03 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.111 -1.44 . . . . 75.2 107.111 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -59.62 150.29 67.24 Favored Pre-proline 0 C--O 1.251 1.164 0 N-CA-C 109.235 -0.654 . . . . 72.21 109.235 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.9 169.38 16.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.227 -1.382 . . . . 63.24 109.652 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.48 148.7 41.06 Favored 'General case' 0 C--O 1.198 -1.64 0 CA-C-O 121.816 0.817 . . . . 73.54 110.985 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.44 -27.97 22.39 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.289 -1.323 . . . . 74.43 107.447 171.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.17 179.49 7.34 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.128 -1.434 . . . . 71.13 107.128 172.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 118.873 0.761 . . . . 75.31 111.831 174.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 CA-C-O 118.204 -1.331 . . . . 72.44 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.95 70.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.566 1.183 . . . . 64.33 110.124 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.4 mtm -135.19 172.56 12.84 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.451 -1.685 . . . . 74.14 106.451 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.82 161.03 29.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.71 -1.218 . . . . 42.13 107.71 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -62.04 -43.42 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.809 0.67 . . . . 63.32 112.809 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.91 156.8 0.13 Allowed Pre-proline 0 CA--C 1.554 1.116 0 O-C-N 124.873 1.358 . . . . 71.12 112.346 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.52 -16.97 21.24 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 CA-C-O 122.332 0.888 . . . . 63.34 112.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -92.55 41.57 1.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.753 -1.112 . . . . 41.41 113.621 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -69.84 154.81 41.47 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 118.802 -1.159 . . . . 73.55 108.83 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.31 74.11 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 71.33 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 71.33 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 70.14 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 71.43 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 71.15 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 70.42 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.33 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 65.5 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.14 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 35.21 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 70.15 113.931 -172.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 64.25 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 70.22 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 70.5 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 72.11 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 33.34 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.14 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 63.41 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 71.53 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 62.52 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 65.41 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 54.21 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 71.32 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 23.43 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 64.2 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 64.41 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.05 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 54.21 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 65.2 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 71.45 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 42.54 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 62.13 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 35.02 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -73.01 -31.68 64.64 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.13 108.48 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.99 86.96 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 122.992 0.183 . . . . 71.04 110.76 174.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.87 -47.15 86.92 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.607 -0.886 . . . . 74.01 108.607 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.74 88.61 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.994 -0.548 . . . . 74.23 111.021 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.571 -0.159 . . . . 41.21 110.571 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.4 80.46 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.019 -0.672 . . . . 51.4 109.999 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 t -64.12 -22.68 67.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.69 0.255 . . . . 62.43 111.69 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -1.56 48.51 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.15 0.796 . . . . 71.45 113.15 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 t -145.36 147.1 31.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.796 1.035 . . . . 63.2 113.796 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -75.11 -23.44 57.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.317 -0.856 . . . . 74.33 109.04 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 t -78.77 134.71 37.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.349 0.595 . . . . 61.12 110.235 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -90.58 149.8 41.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.778 -0.646 . . . . 65.54 109.607 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.43 -2.81 12.56 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 N-CA-C 114.789 1.034 . . . . 54.15 114.789 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.54 159.26 15.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.376 -0.602 . . . . 73.41 109.376 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -89.23 -28.19 20.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.065 -1.087 . . . . 70.12 108.065 168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.12 160.98 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 75.21 110.328 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--O 1.243 0.763 0 N-CA-C 104.978 -2.23 . . . . 65.32 104.978 179.051 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 CA-C-O 119.267 -0.741 . . . . 70.21 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 -45.6 14.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 117.909 0.854 . . . . 55.14 111.142 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 mmt -79.84 -23.18 42.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.027 0.751 . . . . 54.4 113.027 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.38 29.81 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.626 -1.25 . . . . 32.2 107.626 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -134.95 133.45 39.56 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.196 -1.039 . . . . 75.13 108.196 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.29 -45.1 0.58 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.829 0.705 . . . . 55.21 111.607 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.9 152.9 41.85 Favored 'Trans proline' 0 C--N 1.363 1.291 0 C-N-CA 113.665 -3.757 . . . . 73.05 114.278 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -97.18 -60.87 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.458 -0.792 . . . . 75.51 109.122 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -82.71 146.1 29.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.844 -0.799 . . . . 74.51 108.844 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.0 93.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.221 0.452 . . . . 63.34 112.221 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 72.51 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 73.11 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 64.01 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.02 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 53.13 112.307 -177.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 70.02 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 34.1 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 20' ' ' ALA . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 54.43 112.407 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 65.22 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 61.05 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 65.11 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 62.4 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 73.24 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 63.51 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 71.55 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 50.21 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 35.1 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 71.21 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 72.3 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 64.13 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 73.51 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 63.31 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 72.01 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 63.4 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 65.24 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 74.45 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 52.5 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.15 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 62.23 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 70.34 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 33.31 112.769 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 65.01 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.04 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -70.23 -29.67 66.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 70.53 111.442 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.51 79.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.432 -0.349 . . . . 73.21 110.08 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -39.16 86.59 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.818 -0.438 . . . . 75.43 109.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.16 83.05 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 117.746 0.248 . . . . 53.23 110.408 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -26.3 66.56 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.922 0.391 . . . . 64.01 111.769 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -87.81 -15.77 35.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.902 0.704 . . . . 45.31 112.902 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -73.64 -24.07 59.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.196 0.522 . . . . 64.0 109.632 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 140.52 56.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.877 -0.786 . . . . 73.33 108.877 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.5 m -140.06 176.8 8.45 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.533 -1.284 . . . . 71.52 107.533 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -73.84 -16.46 61.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.549 0.69 . . . . 72.41 109.893 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 152.06 46.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.373 -0.973 . . . . 65.11 108.373 176.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 149.82 89.23 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.383 -0.599 . . . . 72.45 109.383 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.8 173.18 14.47 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 117.405 -1.263 . . . . 45.12 111.355 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -127.98 165.74 19.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.063 -2.199 . . . . 64.33 105.063 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -82.05 154.53 25.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 109.474 -0.565 . . . . 75.15 109.474 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -122.56 169.62 10.83 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 106.836 -1.542 . . . . 70.51 106.836 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.598 -1.192 . . . . 75.31 111.811 -175.092 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.051 -0.861 . . . . 73.51 111.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.35 -14.25 58.5 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.262 0.838 . . . . 55.01 113.262 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -130.42 166.92 19.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.644 -0.873 . . . . 74.44 108.644 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.84 150.1 50.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.909 -1.885 . . . . 74.03 105.909 174.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.42 161.35 36.55 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.203 -1.036 . . . . 73.12 108.203 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.87 158.47 70.4 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.413 -1.699 . . . . 75.01 106.413 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -66.63 132.99 30.43 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 117.618 -1.121 . . . . 74.15 111.312 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -80.9 -50.59 9.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.927 -1.138 . . . . 74.21 107.927 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.4 p -100.89 156.6 17.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.83 0.824 . . . . 64.03 111.106 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.05 71.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 53.11 112.983 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 65.32 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 71.44 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 73.05 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 73.42 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 71.34 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 62.52 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 73.11 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 52.25 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 64.21 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 72.44 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 70.1 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 51.13 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 63.42 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 74.15 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.13 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 70.23 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 30.2 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 44.34 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 61.51 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 72.52 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 54.51 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.42 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 63.53 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.22 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 60.12 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 72.2 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 64.45 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 61.33 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 64.32 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 64.15 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 71.31 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 60.12 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 44.23 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 72.43 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.32 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 63.53 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 54.31 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 60.44 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 50.24 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -30.18 69.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 72.23 112.472 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.83 -44.73 61.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.422 0.63 . . . . 53.44 109.309 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.23 -33.89 75.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.805 0.842 . . . . 53.11 110.675 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.2 -22.75 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.303 0.641 . . . . 52.22 112.096 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.92 77.09 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.229 -0.919 . . . . 72.53 110.336 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.66 -29.58 45.81 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.485 -0.561 . . . . 74.33 109.485 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 t -64.42 -41.83 96.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.525 -0.47 . . . . 55.31 109.986 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.24 62.05 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.665 0.745 . . . . 62.43 112.165 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -81.93 140.54 33.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.574 -0.739 . . . . 64.05 109.89 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.95 145.33 46.42 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.533 -0.543 . . . . 72.25 109.533 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.2 m -97.74 154.02 17.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.664 -0.243 . . . . 65.52 110.639 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -72.54 149.99 91.16 Favored Pre-proline 0 N--CA 1.455 -0.2 0 N-CA-C 104.514 -2.402 . . . . 74.23 104.514 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.38 143.04 56.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 114.772 -3.019 . . . . 72.11 113.963 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -156.77 175.78 13.61 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 104.903 -2.258 . . . . 70.34 104.903 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -77.33 159.24 29.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.382 -0.229 . . . . 72.3 110.382 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.31 143.16 53.89 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.991 -1.114 . . . . 63.53 107.991 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.255 1.39 0 CA-C-O 117.534 -1.222 . . . . 63.55 112.694 -173.058 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 CA-C-O 118.903 -0.943 . . . . 61.3 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.75 146.23 54.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 117.885 0.842 . . . . 62.51 111.058 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -82.57 -12.86 57.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.905 0.705 . . . . 71.34 112.905 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.34 141.99 58.56 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.387 -0.597 . . . . 52.31 109.387 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -84.9 -50.9 7.13 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.996 -0.282 . . . . 72.5 110.916 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.78 160.86 17.35 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 104.705 -2.331 . . . . 55.25 104.705 -175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -74.01 168.81 23.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 O-C-N 122.722 0.854 . . . . 53.24 111.443 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -88.65 -55.72 3.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.976 -0.379 . . . . 75.42 109.976 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -92.92 155.89 17.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.216 1.008 . . . . 73.13 112.023 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.84 85.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 44.43 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.22 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 73.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 72.01 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 65.21 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.1 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 44.33 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.13 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 53.51 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 72.23 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 64.33 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 72.12 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 53.34 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 64.23 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 63.22 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 74.13 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 34.03 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 72.42 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 53.21 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 70.34 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 41.12 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 60.1 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 73.52 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 72.44 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 65.21 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 64.55 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 70.42 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 63.31 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.45 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 72.33 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 61.52 112.367 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 44.01 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 51.25 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -72.34 -23.69 61.18 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.14 74.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.9 -0.778 . . . . 73.22 108.9 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -22.93 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.62 -0.718 . . . . 62.04 111.424 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.39 -25.61 50.4 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.881 0.697 . . . . 73.32 112.881 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.19 79.75 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.721 0.296 . . . . 74.15 110.901 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -69.75 -28.3 65.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.21 0.528 . . . . 72.32 110.19 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 t -84.06 -9.13 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 62.01 111.849 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.8 31.66 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.297 1.039 . . . . 61.12 113.253 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.8 p -89.44 164.59 14.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.403 -0.591 . . . . 75.41 109.403 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -77.11 164.28 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.826 -0.546 . . . . 72.42 110.317 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -78.61 142.62 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.352 -0.61 . . . . 61.54 109.352 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -64.93 152.36 91.08 Favored Pre-proline 0 C--O 1.244 0.774 0 N-CA-C 108.794 -0.817 . . . . 72.3 108.794 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.21 153.52 56.68 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 116.405 -1.93 . . . . 65.13 111.625 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -151.6 155.49 38.53 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 106.62 -1.622 . . . . 64.32 106.62 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -97.79 -28.6 13.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.796 0.808 . . . . 60.2 112.018 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -122.19 160.06 25.96 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.542 -1.281 . . . . 73.22 107.542 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 116.499 -1.715 . . . . 63.44 111.22 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 118.864 -0.964 . . . . 33.53 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.34 171.69 15.6 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.137 -2.171 . . . . 55.41 105.137 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.1 mtp -76.47 156.44 33.03 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.646 -0.872 . . . . 75.42 108.646 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.9 -24.71 66.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.388 0.884 . . . . 75.42 113.388 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -145.06 138.0 26.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.003 -0.74 . . . . 74.3 109.003 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' H ' ' HD2' ' A' ' 7' ' ' PRO . . . -122.93 -43.72 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.289 0 O-C-N 124.479 1.112 . . . . 61.21 112.811 175.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' HD2' ' H ' ' A' ' 6' ' ' ALA . 86.1 Cg_endo -71.35 154.38 61.1 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 115.002 -2.865 . . . . 74.44 113.441 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -170.85 -10.77 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 114.704 1.372 . . . . 71.42 114.704 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 t -73.25 149.39 42.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.961 0.886 . . . . 61.32 113.059 -172.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.52 85.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 74.22 114.452 -175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 61.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 72.05 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 65.43 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 44.42 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 72.04 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 52.21 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 53.21 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.31 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 51.21 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 64.1 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 73.22 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 64.43 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 64.5 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 71.1 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 71.43 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 71.24 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 64.33 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 65.02 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 62.34 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 64.31 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 64.14 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 72.33 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.43 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 72.33 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.11 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 64.02 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 70.53 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.24 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.11 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.31 -28.83 66.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.95 -38.92 83.38 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.466 -0.568 . . . . 63.02 109.466 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.3 mt -68.72 -36.09 77.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.069 -0.394 . . . . 73.35 111.439 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.72 69.43 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.15 0.18 . . . . 73.51 111.233 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.39 72.56 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.537 0.208 . . . . 61.53 111.069 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -69.89 -34.19 73.22 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.63 -0.507 . . . . 74.35 109.63 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 m -75.91 -19.73 58.58 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 121.275 0.56 . . . . 42.43 112.349 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.34 56.45 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.6 t -84.7 134.22 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.99 -0.374 . . . . 53.51 109.99 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.62 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 74.14 110.329 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.4 t -86.7 138.24 31.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.343 -0.984 . . . . 64.31 108.343 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -62.97 149.54 90.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 109.708 -0.478 . . . . 71.2 109.708 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.31 154.5 56.3 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 118.029 -0.847 . . . . 54.02 112.775 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -143.29 173.18 11.83 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.032 0.533 . . . . 74.44 110.178 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -85.71 -31.0 22.69 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.566 -1.197 . . . . 74.24 110.521 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.7 150.86 42.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.027 -0.988 . . . . 72.34 109.814 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.245 0.844 0 CA-C-O 115.8 -2.048 . . . . 74.1 107.474 -177.687 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 CA-C-O 118.381 -1.233 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 157.52 33.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.658 -1.608 . . . . 52.21 106.658 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -86.06 -7.26 58.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.552 0.575 . . . . 70.34 112.552 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.56 165.86 34.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.448 -1.315 . . . . 61.24 107.448 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.31 161.1 31.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 52.14 111.505 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.86 161.16 72.36 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.32 -0.855 . . . . 64.13 108.771 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.08 164.06 31.61 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 117.849 -0.967 . . . . 63.2 111.073 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -84.77 -61.79 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.175 -0.676 . . . . 73.1 109.175 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -85.76 139.9 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.904 -1.147 . . . . 64.33 107.904 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.39 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 60.21 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 70.21 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.11 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 50.31 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 51.13 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 73.24 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 64.41 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 74.11 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 63.43 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 71.2 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 70.42 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 52.53 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 42.02 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 54.54 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 62.44 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 62.3 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 55.51 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 72.42 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 71.54 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 71.03 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 64.31 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 54.14 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 63.31 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 64.24 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.01 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 71.43 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.11 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 70.55 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -71.05 -28.22 64.21 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 73.24 111.184 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.65 70.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.744 0.275 . . . . 70.5 111.744 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -28.41 69.43 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.034 0.445 . . . . 73.41 111.71 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.15 63.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.351 0.871 . . . . 55.43 113.351 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.8 76.04 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.6 -0.688 . . . . 54.12 112.667 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -69.27 -15.87 63.45 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.905 0.706 . . . . 54.24 112.905 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.2 t -85.45 -36.12 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.641 -0.503 . . . . 64.44 109.641 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.02 -34.24 61.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.015 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -126.4 99.59 5.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.837 -0.801 . . . . 62.32 108.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -67.87 -19.35 65.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 74.33 111.915 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -71.21 129.03 37.86 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.41 -0.959 . . . . 75.32 108.41 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -77.91 145.61 70.38 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.959 -0.564 . . . . 64.55 110.869 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.89 163.81 34.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 CA-C-O 121.377 0.49 . . . . 75.41 112.219 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.71 -27.42 66.8 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.042 0.449 . . . . 63.15 112.135 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -141.32 128.54 20.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.127 -0.694 . . . . 73.0 109.127 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.85 -2.47 58.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.593 1.187 . . . . 75.31 109.013 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 tptm . . . . . 0 C--O 1.255 1.387 0 CA-C-N 114.124 -1.398 . . . . 72.43 112.016 -178.025 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 N-CA-C 111.363 -0.695 . . . . 73.15 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.51 81.39 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.908 0.854 . . . . 51.14 112.029 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 ttm -98.52 143.66 28.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.58 -1.267 . . . . 75.35 107.58 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.19 165.59 31.39 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.903 -1.518 . . . . 53.34 106.903 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -116.13 -92.62 0.51 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.881 -1.155 . . . . 62.32 107.881 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.26 155.51 15.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 104.285 -2.487 . . . . 44.44 104.285 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.63 157.83 51.74 Favored 'Trans proline' 0 C--N 1.344 0.298 0 O-C-N 122.897 0.946 . . . . 43.12 110.931 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.06 -65.05 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.062 0.458 . . . . 70.43 110.775 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -75.2 146.07 41.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.256 0.55 . . . . 64.12 109.575 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.17 68.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.212 0.529 . . . . 52.43 112.396 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 43.13 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 62.51 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 64.35 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 73.21 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 62.42 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 70.24 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.04 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 62.01 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 71.12 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.24 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 64.5 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 24.51 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 62.12 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 64.4 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 73.24 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 73.43 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.13 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 65.34 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 64.54 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 63.22 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 77' ' ' LEU . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 71.03 110.472 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 44.23 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 52.22 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 72.5 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 72.11 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 52.12 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 72.14 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 42.41 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -71.58 -25.76 62.33 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 72.14 111.552 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.49 73.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.228 0.537 . . . . 41.14 109.57 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 57' ' ' VAL . 97.8 mt -68.26 -22.86 64.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.026 -0.534 . . . . 73.23 112.014 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -16.89 42.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.932 0.493 . . . . 54.53 111.136 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -17.06 20.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.66 0.384 . . . . 55.15 112.01 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -54.19 -34.14 59.83 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 122.856 0.462 . . . . 44.12 111.373 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -69.22 -27.81 65.8 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 113.116 0.784 . . . . 70.13 113.116 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.92 -9.87 23.56 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.916 0.389 . . . . 71.31 111.075 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.0 m -83.9 157.6 21.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.315 -0.624 . . . . 65.12 109.315 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -73.86 127.92 34.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.935 -0.394 . . . . 74.52 109.935 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 m -77.67 126.58 31.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.918 0.389 . . . . 44.13 110.919 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -64.77 155.84 81.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.616 -0.883 . . . . 55.21 108.616 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.71 70.89 4.15 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 N-CA-C 114.399 0.884 . . . . 74.32 114.399 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -156.22 165.8 35.31 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 102.35 -3.204 . . . . 72.43 102.35 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.81 130.92 49.17 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.894 -0.41 . . . . 72.53 109.894 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -83.74 164.37 19.63 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 123.854 0.721 . . . . 74.04 110.132 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt . . . . . 0 C--O 1.266 1.95 0 CA-C-O 116.797 -1.573 . . . . 71.44 109.058 175.373 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.544 0 CA-C-O 118.575 -1.125 . . . . 73.12 111.711 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.84 167.18 31.13 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.356 1.078 . . . . 65.44 110.207 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mtp -127.45 135.02 49.84 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 106.45 -1.685 . . . . 74.53 106.45 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.22 61.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 119.715 -0.794 . . . . 63.15 113.03 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -130.42 152.11 50.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.637 0.653 . . . . 74.34 110.174 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 154.69 78.17 Favored Pre-proline 0 C--N 1.301 -1.514 0 O-C-N 124.529 1.143 . . . . 61.54 109.901 166.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -77.59 178.64 7.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 121.938 1.759 . . . . 63.23 112.754 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 63.38 31.59 15.06 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 124.01 1.862 . . . . 70.23 111.16 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -73.59 163.81 27.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.159 -1.382 . . . . 75.12 109.795 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -50.1 69.66 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 63.13 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 65.34 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 52.15 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 51.32 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.02 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.04 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 64.34 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 53.44 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 64.45 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 54.23 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 61.21 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.44 HG13 HD11 ' A' ' 37' ' ' LEU . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 44.53 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 47' ' ' LEU . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 54.45 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD11 HG13 ' A' ' 28' ' ' VAL . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 60.02 113.225 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 73.11 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 61.21 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 61.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 72.24 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD22 ' CE1' ' A' ' 34' ' ' PHE . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 71.15 111.792 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 60.35 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 70.24 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 73.02 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 65.41 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 54.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 71.13 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 63.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 71.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 63.1 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 72.34 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 72.42 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 64.03 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 64.43 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 61.04 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 51.42 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 54.21 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 62.01 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -67.7 -31.93 72.22 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 60.24 111.071 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.95 77.99 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.93 0.786 . . . . 52.22 109.647 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.72 -43.02 99.65 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.201 1.0 . . . . 75.21 109.107 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.24 82.99 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.557 -0.747 . . . . 74.21 110.91 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.0 90.95 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.928 -1.108 . . . . 65.22 109.368 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.05 -41.1 91.27 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 112.495 0.554 . . . . 64.43 112.495 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -67.06 -24.22 65.95 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.092 -1.043 . . . . 74.42 112.067 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.27 -7.73 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.641 -0.824 . . . . 65.44 109.825 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.1 m -72.78 148.59 44.43 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.651 0.66 . . . . 73.21 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -81.36 -33.8 32.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.615 1.197 . . . . 73.53 111.374 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 p -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 107.652 -1.24 . . . . 61.21 107.652 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -67.71 153.3 95.31 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 108.746 -0.835 . . . . 64.02 108.746 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.8 157.58 43.52 Favored 'Trans proline' 0 C--O 1.244 0.789 0 C-N-CA 115.404 -2.597 . . . . 54.13 112.753 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -117.72 162.61 17.78 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.631 -0.507 . . . . 73.31 109.631 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.43 164.87 37.75 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.218 -1.771 . . . . 65.44 106.218 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.04 154.8 27.06 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.884 -1.154 . . . . 72.34 107.884 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 tptt . . . . . 0 C--O 1.269 2.112 0 CA-C-N 115.835 -0.621 . . . . 64.3 111.507 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 117.747 -1.585 . . . . 61.45 110.795 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.38 4.96 11.62 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 118.919 1.359 . . . . 62.23 113.061 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.8 ptp 65.21 -29.58 0.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 117.318 2.34 . . . . 74.45 117.318 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.28 156.3 22.54 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 108.04 -1.096 . . . . 52.14 108.04 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.11 159.72 39.99 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 108.465 -0.939 . . . . 71.24 108.465 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.16 45.59 Favored Pre-proline 0 C--N 1.308 -1.208 0 N-CA-C 106.862 -1.533 . . . . 53.41 106.862 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -66.4 162.46 36.33 Favored 'Trans proline' 0 C--O 1.2 -1.394 0 N-CA-C 118.631 2.512 . . . . 71.34 118.631 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.64 35.49 2.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.835 -1.53 . . . . 75.1 107.024 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.59 159.31 33.29 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.527 -0.76 . . . . 70.45 112.006 -173.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.98 72.21 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 62.05 114.183 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 62.11 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 52.44 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 51.31 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 64.23 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 65.01 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 52.22 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 73.23 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 54.33 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 65.35 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.22 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 63.14 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 31.44 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 61.02 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 72.12 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 62.21 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 71.4 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 60.42 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 72.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 64.34 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 65.14 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 61.42 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 54.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 53.25 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.32 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 64.43 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 54.51 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 62.23 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.76 -32.36 72.91 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 63.15 110.481 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.13 75.66 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 116.735 -0.211 . . . . 42.5 111.05 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.31 -43.99 69.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.022 -0.362 . . . . 52.52 110.022 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.85 92.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.898 -0.408 . . . . 61.21 109.898 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -27.18 66.33 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.776 -0.647 . . . . 71.11 111.563 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -78.82 -29.28 44.66 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.896 -0.502 . . . . 72.05 110.993 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.3 p -91.52 -21.39 20.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.711 -0.395 . . . . 72.11 110.913 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.51 144.6 27.85 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.682 0.754 . . . . 61.24 110.158 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -86.34 -13.85 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 72.35 111.476 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -136.51 160.72 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.15 109.87 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -72.94 161.39 30.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.786 0.679 . . . . 72.01 109.313 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -76.02 156.25 84.23 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 107.982 -1.118 . . . . 74.45 107.982 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 160.01 49.79 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 117.263 -1.358 . . . . 73.02 111.337 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -75.97 165.1 25.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.778 -1.564 . . . . 74.52 106.778 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.79 142.45 58.19 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.501 -0.925 . . . . 71.2 108.501 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -76.33 164.18 26.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.166 -1.379 . . . . 71.12 111.814 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 tptt . . . . . 0 C--O 1.251 1.133 0 N-CA-C 105.462 -2.051 . . . . 75.21 105.462 177.27 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 CA-C-O 118.193 -1.337 . . . . 70.3 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.95 56.93 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 118.026 0.913 . . . . 74.13 112.657 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.7 mmt 61.93 58.13 1.98 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.996 0.903 . . . . 70.42 110.768 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.66 149.74 39.29 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.825 -1.176 . . . . 63.23 107.825 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -122.96 -16.8 6.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.577 1.325 . . . . 52.31 114.577 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.82 148.17 0.09 OUTLIER Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 118.27 2.693 . . . . 75.55 118.27 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.26 161.96 34.43 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 116.667 -1.755 . . . . 75.24 114.788 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -110.12 -50.14 3.0 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.419 1.104 . . . . 64.54 111.327 173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.0 t -88.39 148.55 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.875 -1.141 . . . . 74.13 109.266 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.85 70.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.517 -0.74 . . . . 64.5 110.035 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 43.22 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 63.21 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 43.33 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 61.03 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 73.34 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 61.3 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 63.43 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 61.43 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 61.52 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 61.45 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 51.52 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 55.35 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 71.01 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 52.34 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 62.43 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 23.34 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 65.13 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 61.12 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 74.31 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 71.52 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 55.12 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 64.12 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 70.44 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 64.3 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 74.13 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 60.23 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 61.35 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 55.4 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.12 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 73.22 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 60.32 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.01 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 71.12 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 53.31 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 72.41 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 72.41 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.36 74.48 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.206 -1.035 . . . . 71.53 108.206 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.64 -31.83 68.9 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.408 0.623 . . . . 75.31 110.769 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.03 82.35 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 122.165 0.983 . . . . 63.41 110.327 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.73 75.84 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.356 -0.84 . . . . 52.43 111.229 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -65.8 -38.4 88.87 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.156 -0.683 . . . . 71.23 109.156 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 8.6 t -65.52 -28.72 69.39 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-O 121.178 0.513 . . . . 73.24 110.403 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.1 0.39 56.06 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 120.959 -1.088 . . . . 42.54 111.522 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -84.66 169.93 13.82 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.955 0.798 . . . . 71.53 112.75 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -64.49 -39.93 94.71 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.699 1.238 . . . . 71.31 108.522 170.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.7 t -81.61 103.79 11.57 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 107.223 -1.399 . . . . 74.11 107.223 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -62.8 147.24 93.87 Favored Pre-proline 0 C--O 1.256 1.407 0 O-C-N 124.376 1.048 . . . . 75.15 110.737 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 74.3 Cg_endo -76.52 -11.82 18.72 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 116.559 -1.827 . . . . 71.41 113.793 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.0 144.71 45.31 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.717 -1.216 . . . . 62.12 107.717 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 54.59 32.48 17.14 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.014 2.071 . . . . 72.52 112.193 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.46 146.85 28.17 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.658 -0.651 . . . . 61.35 110.701 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm . . . . . 0 C--O 1.276 2.458 0 CA-C-O 115.358 -2.258 . . . . 71.1 107.235 175.375 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 61.22 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 63.54 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 71.41 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 65.11 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 63.05 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 71.42 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 55.22 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 72.3 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 70.31 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 71.24 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 72.12 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 72.44 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 74.34 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 65.21 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 52.4 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 41.4 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 71.44 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 63.03 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 72.24 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.24 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 72.13 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.33 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 52.13 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 62.1 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 63.32 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 73.25 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 70.12 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 35.14 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 71.41 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 70.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 42.51 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 73.53 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 62.33 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 . . . . . 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 72.31 111.355 -179.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 113.811 1.041 . . . . 54.43 113.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 63.05 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 72.32 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 71.04 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 71.34 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 62.44 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 64.13 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 70.02 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 71.11 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 65.21 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 62.33 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.13 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 72.53 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 71.3 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 74.42 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 61.1 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 72.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 71.41 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.44 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 52.45 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 71.2 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 63.33 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 71.14 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 61.13 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 63.25 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 64.24 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 64.42 110.7 -178.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.229 0.455 . . . . 43.21 112.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.13 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 73.24 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 54.25 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 61.24 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 64.04 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 52.45 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 72.54 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.11 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 55.23 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 52.34 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 71.21 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 72.13 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 62.02 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 34.13 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 73.45 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 45.41 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 72.32 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 62.21 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 65.55 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 73.53 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 71.42 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 44.15 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 71.23 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 64.02 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 64.11 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 63.14 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 53.43 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 61.54 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 60.22 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 43.51 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 55.44 110.637 179.355 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.218 0.451 . . . . 54.21 112.218 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 74.32 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 64.25 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.22 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 54.31 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 51.33 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.11 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 54.15 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 55.43 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 74.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 63.24 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 70.45 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 62.54 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 53.14 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 61.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 61.41 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 64.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 61.33 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 73.33 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 61.22 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 65.2 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 53.41 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 44.4 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 62.04 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 64.21 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 60.51 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.15 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 55.23 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 61.22 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 43.5 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 63.25 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 63.43 111.692 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 63.34 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 72.43 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 65.35 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 62.3 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 60.22 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 63.02 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 22.35 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 73.32 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 50.2 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 71.31 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 73.5 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 60.44 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 65.13 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 63.0 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 61.41 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 64.15 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 71.44 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 71.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 53.44 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 63.13 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 64.21 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 53.31 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 54.52 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 51.55 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 72.25 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 63.15 109.833 178.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 64.23 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 61.24 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 42.23 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 61.04 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 73.34 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 43.24 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 62.21 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 72.44 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 72.44 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 32.21 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 52.23 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 72.44 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 60.42 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 63.0 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 64.04 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 64.3 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 63.11 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 72.54 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.02 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 72.22 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 72.44 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 34.35 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 63.43 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 71.13 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 71.42 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 73.53 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 63.35 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 63.15 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 73.03 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 42.34 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 70.41 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 . . . . . 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 73.34 109.841 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 42.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 52.44 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 64.34 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 45.33 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 62.3 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 71.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.1 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 62.4 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 62.44 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 62.23 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 65.21 110.88 178.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 54.53 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 71.35 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 73.01 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 65.14 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 35.05 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 62.44 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 70.2 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 72.34 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 73.51 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.35 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 62.11 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 24.14 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 65.01 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 73.53 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 62.3 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.43 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 60.21 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 64.32 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 45.22 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 72.25 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 61.25 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 33.4 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 54.14 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.0 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 53.1 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 72.3 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 51.43 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 73.31 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.41 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 62.04 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 54.12 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.22 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 71.02 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 54.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 53.42 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 62.32 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 55.42 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA2' ' A' ' 39' ' ' GLY . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 65.13 109.706 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 51.42 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.22 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 54.11 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 64.33 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 55.04 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 64.21 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 72.21 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.21 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 65.33 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 63.4 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 64.43 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 61.21 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 62.31 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 63.22 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 51.03 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 61.13 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 54.53 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.634 0.605 . . . . 55.12 112.634 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 70.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 53.11 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 70.12 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 72.12 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 61.45 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 44.23 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.34 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 65.23 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 65.12 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 73.31 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 63.13 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 63.34 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 65.45 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.22 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 65.52 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 61.34 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 64.52 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 73.04 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 64.54 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 73.11 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 62.22 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 43.21 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 65.03 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 54.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 61.42 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 . . . . . 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 73.53 110.093 178.693 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 71.33 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 71.33 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 70.14 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 71.43 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 71.15 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 70.42 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.33 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 65.5 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.14 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 35.21 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 70.15 113.931 -172.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 64.25 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 70.22 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 70.5 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 72.11 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 33.34 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.14 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 63.41 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 71.53 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 62.52 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 65.41 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 54.21 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 71.32 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 23.43 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 64.2 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 64.41 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.05 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 54.21 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 65.2 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 71.45 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 42.54 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 62.13 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 35.02 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.13 108.48 179.068 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.221 0.452 . . . . 63.34 112.221 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 72.51 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 73.11 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 64.01 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.02 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 53.13 112.307 -177.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 70.02 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 34.1 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 20' ' ' ALA . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 54.43 112.407 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 65.22 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 61.05 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 65.11 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 62.4 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 73.24 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 63.51 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 71.55 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 50.21 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 35.1 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 71.21 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 72.3 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 64.13 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 73.51 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 63.31 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 72.01 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 63.4 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 65.24 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 74.45 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 52.5 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.15 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 62.23 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 70.34 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 33.31 112.769 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 65.01 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.04 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 . . . . . 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 70.53 111.442 -179.008 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 53.11 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 65.32 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 71.44 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 73.05 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 73.42 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 71.34 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 62.52 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 73.11 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 52.25 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 64.21 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 72.44 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 70.1 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 51.13 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 63.42 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 74.15 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.13 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 70.23 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 30.2 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 44.34 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 61.51 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 72.52 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 54.51 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.42 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 63.53 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.22 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 60.12 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 72.2 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 64.45 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 61.33 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 64.32 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 64.15 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 71.31 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 60.12 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 44.23 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 72.43 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.32 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 63.53 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 54.31 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 60.44 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 50.24 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 72.23 112.472 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 44.43 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.22 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 73.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 72.01 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 65.21 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.1 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 44.33 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.13 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 53.51 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 72.23 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 64.33 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 72.12 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 53.34 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 64.23 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 63.22 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 74.13 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 34.03 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 72.42 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 53.21 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 70.34 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 41.12 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 60.1 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 73.52 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 72.44 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 65.21 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 64.55 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 70.42 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 63.31 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.45 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 72.33 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 61.52 112.367 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 44.01 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 51.25 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 74.22 114.452 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 61.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 72.05 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 65.43 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 44.42 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 72.04 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 52.21 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 53.21 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.31 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 51.21 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 64.1 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 73.22 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 64.43 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 64.5 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 71.1 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 71.43 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 71.24 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 64.33 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 65.02 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 62.34 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 64.31 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 64.14 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 72.33 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.43 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 72.33 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.11 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 64.02 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 70.53 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.24 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.11 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 60.21 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 70.21 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.11 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 50.31 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 51.13 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 73.24 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 64.41 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 74.11 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 63.43 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 71.2 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 70.42 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 52.53 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 42.02 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 54.54 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 62.44 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 62.3 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 55.51 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 72.42 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 71.54 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 71.03 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 64.31 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 54.14 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 63.31 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 64.24 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.01 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 71.43 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.11 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 70.55 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 73.24 111.184 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.212 0.529 . . . . 52.43 112.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 43.13 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 62.51 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 64.35 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 73.21 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 62.42 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 70.24 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.04 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 62.01 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 71.12 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.24 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 64.5 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 24.51 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 62.12 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 64.4 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 73.24 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 73.43 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.13 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 65.34 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 64.54 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 63.22 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 71.03 110.472 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 44.23 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 52.22 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 72.5 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 72.11 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 52.12 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 72.14 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 42.41 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 72.14 111.552 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 63.13 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 65.34 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 52.15 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 51.32 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.02 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.04 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 64.34 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 53.44 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 64.45 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 54.23 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 61.21 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.44 HG13 HD11 ' A' ' 37' ' ' LEU . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 44.53 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 47' ' ' LEU . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 54.45 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD11 HG13 ' A' ' 28' ' ' VAL . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 60.02 113.225 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 73.11 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 61.21 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 61.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 72.24 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD22 ' CE1' ' A' ' 34' ' ' PHE . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 71.15 111.792 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 60.35 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 70.24 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 73.02 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 65.41 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 54.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 71.13 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 63.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 71.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 63.1 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 72.34 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 72.42 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 64.03 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 64.43 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 61.04 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 51.42 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 54.21 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 62.01 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 60.24 111.071 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 62.05 114.183 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 62.11 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 52.44 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 51.31 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 64.23 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 65.01 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 52.22 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 73.23 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 54.33 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 65.35 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.22 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 63.14 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 31.44 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 61.02 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 72.12 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 62.21 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 71.4 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 60.42 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 72.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 64.34 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 65.14 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 61.42 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 54.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 53.25 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.32 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 64.43 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 54.51 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 62.23 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 63.15 110.481 179.625 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 121.163 0.506 . . . . 64.5 110.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 43.22 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 63.21 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 43.33 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 61.03 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 73.34 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 61.3 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 63.43 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 61.43 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 61.52 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 61.45 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 51.52 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 55.35 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 71.01 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 52.34 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 62.43 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 23.34 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 65.13 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 61.12 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 74.31 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 71.52 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 55.12 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 64.12 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 70.44 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 64.3 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 74.13 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 60.23 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 61.35 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 55.4 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.12 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 73.22 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 60.32 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.01 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 71.12 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 53.31 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 72.41 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 72.41 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 154.96 33.26 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.309 0.576 . . . . 0.0 110.315 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.7 mtt -93.17 -2.89 54.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.9 80.51 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.716 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 51.63 47.12 25.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 123.05 1.405 . . . . 0.0 111.361 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 150.94 96.43 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.329 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -79.19 160.87 26.38 Favored 'Trans proline' 0 C--N 1.347 0.472 0 N-CA-C 113.994 0.728 . . . . 0.0 113.994 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 30' ' ' VAL . 20.3 pt-20 -93.33 137.17 32.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 t -88.67 170.54 10.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.1 -48.28 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -75.16 -33.65 61.51 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 15' ' ' LEU . 90.5 mt-10 -63.1 -31.3 72.41 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -67.52 -31.93 72.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.284 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.62 -35.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 12' ' ' GLU . 30.4 mt -73.01 -40.66 65.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -55.84 -36.17 67.21 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.788 172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.19 62.98 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.84 -1.144 . . . . 0.0 109.996 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -33.28 75.44 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.935 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.68 -48.9 65.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.79 78.27 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.836 0.827 . . . . 0.0 111.273 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -82.76 -37.89 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.802 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 -18.42 39.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.95 34.6 47.18 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.304 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -110.39 163.61 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.34 -35.55 77.94 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.278 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.19 156.12 16.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.6 t -130.76 133.0 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.0 163.57 34.76 Favored Glycine 0 C--O 1.222 -0.606 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG11 ' HA ' ' A' ' 8' ' ' GLU . 19.1 m -75.29 -9.2 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.541 -0.976 . . . . 0.0 111.06 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -103.45 -2.08 27.47 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.803 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -83.48 122.29 28.33 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.55 151.01 34.71 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.46 -35.8 70.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -76.27 -29.76 57.56 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -70.37 -22.19 62.8 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.988 0.899 . . . . 0.0 109.795 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -83.23 -2.11 54.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.066 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.31 1.77 64.32 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-O 121.333 0.407 . . . . 0.0 112.861 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.89 155.54 53.53 Favored Glycine 0 C--O 1.237 0.314 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -117.52 163.16 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.489 -0.418 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -58.22 -34.05 69.98 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.34 90.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.55 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.93 -33.68 66.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.75 -28.21 69.42 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.34 -35.25 73.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.027 -1.046 . . . . 0.0 110.797 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.23 -30.03 61.98 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 110.121 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.78 -37.3 70.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.778 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.41 -43.05 93.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.2 93.65 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.647 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.94 -41.64 91.04 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.096 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -39.43 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.17 83.3 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.74 -41.63 83.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.375 0.534 . . . . 0.0 110.776 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -82.05 -40.22 22.35 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.32 -10.29 13.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.49 82.23 Favored Glycine 0 CA--C 1.523 0.56 0 O-C-N 121.547 -0.721 . . . . 0.0 114.498 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 146.57 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.01 153.02 32.41 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.126 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 tp -140.93 129.71 12.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -70.93 151.71 62.64 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 114.703 -3.065 . . . . 0.0 111.755 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tp -60.95 -23.05 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -56.24 -44.73 79.91 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.761 0.315 . . . . 0.0 111.257 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -29.82 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.269 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.88 73.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.84 -33.98 75.13 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.788 -0.57 . . . . 0.0 111.188 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -89.51 -6.2 56.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 0.0 111.433 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -128.95 65.44 73.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 123.086 0.554 . . . . 0.0 110.608 -176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.13 -17.35 17.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 N-CA-C 115.342 1.247 . . . . 0.0 115.342 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.6 p -101.73 160.43 26.5 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-N 118.198 0.454 . . . . 0.0 110.23 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.27 -37.33 94.51 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 117.999 -0.867 . . . . 0.0 113.611 172.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.26 65.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 123.867 0.729 . . . . 0.0 111.926 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.43 -43.66 12.27 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.58 -39.97 87.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.322 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.11 93.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -73.85 -31.57 63.25 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.544 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.52 85.51 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.22 -43.43 95.0 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.307 0.575 . . . . 0.0 109.533 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.22 69.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.276 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -25.75 68.19 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 122.089 -0.382 . . . . 0.0 111.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.14 -9.68 58.76 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -72.74 -14.1 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.81 151.68 40.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 p -67.4 104.25 1.49 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -142.51 134.58 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.9 t -84.73 117.88 24.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -70.67 151.76 95.33 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.04 141.18 52.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.156 -2.096 . . . . 0.0 112.638 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -81.93 172.67 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.867 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -146.0 165.5 28.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -81.89 165.69 20.57 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 117.877 0.308 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--O 1.247 0.95 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.364 -176.172 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 CA-C-O 119.301 -0.722 . . . . 40.31 111.58 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.32 62.97 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.181 0.99 . . . . 70.31 110.482 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -141.4 158.06 44.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.378 -1.712 . . . . 63.22 106.378 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.07 168.7 26.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 105.439 -2.06 . . . . 50.03 105.439 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 160.9 31.13 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.778 -1.193 . . . . 74.12 107.778 173.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 152.98 89.22 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 105.388 -2.078 . . . . 53.53 105.388 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -69.33 139.55 42.01 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 115.315 -2.657 . . . . 63.14 111.808 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.7 -60.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.635 -0.876 . . . . 61.14 108.635 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 m -79.18 142.76 36.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.357 -0.979 . . . . 45.02 108.357 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.87 72.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.692 0.627 . . . . 74.42 112.692 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -24.65 67.11 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 113.233 0.827 . . . . 61.22 113.233 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.61 -36.2 78.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.31 -0.869 . . . . 73.4 110.188 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -69.5 -29.66 67.35 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 112.07 0.396 . . . . 54.11 112.07 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.8 -35.72 18.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 107.744 -1.206 . . . . 63.54 107.744 -177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.99 -39.45 79.36 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 107.786 -1.19 . . . . 73.44 107.786 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -59.57 -37.29 78.09 Favored 'General case' 0 C--O 1.251 1.148 0 N-CA-C 112.526 0.565 . . . . 73.24 112.526 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.73 79.1 Favored 'General case' 0 C--O 1.194 -1.824 0 CA-C-N 115.489 -0.778 . . . . 74.42 111.188 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -34.82 79.05 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 113.9 -1.5 . . . . 75.14 112.268 -178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.49 -47.73 72.1 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.674 -0.862 . . . . 71.41 108.674 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.85 98.65 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.65 0.611 . . . . 65.11 112.65 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -64.88 -44.54 89.31 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.011 0.434 . . . . 63.05 110.813 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -70.82 -35.04 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.262 -0.426 . . . . 71.42 110.229 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.54 -5.83 50.91 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.523 0.934 . . . . 55.22 113.523 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 37.22 92.63 Favored Glycine 0 N--CA 1.462 0.428 0 N-CA-C 114.31 0.484 . . . . 73.5 114.31 174.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -99.83 153.98 4.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.147 0.499 . . . . 72.3 111.605 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.21 -36.33 82.77 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.916 0.865 . . . . 73.2 111.669 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -157.68 146.68 19.63 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.67 -1.234 . . . . 70.31 107.67 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.51 152.14 24.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 105.121 -2.177 . . . . 63.12 105.121 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.32 167.34 12.63 Favored Glycine 0 C--O 1.224 -0.52 0 O-C-N 123.842 0.714 . . . . 71.24 111.773 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.11 -6.98 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 121.483 -1.01 . . . . 72.12 113.057 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -102.75 -1.17 30.4 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.162 0.585 . . . . 63.21 110.103 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.76 118.64 22.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.377 -0.971 . . . . 74.22 108.377 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.64 140.81 44.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.245 -1.391 . . . . 72.44 107.245 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -57.83 -28.09 63.76 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.121 0.962 . . . . 74.34 109.581 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -79.41 -30.01 42.2 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.592 1.33 . . . . 65.21 114.592 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.36 -29.55 66.24 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.675 -0.861 . . . . 64.24 108.675 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -79.79 3.68 18.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.922 -1.035 . . . . 52.4 113.224 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.35 16.26 67.08 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.075 -0.583 . . . . 62.01 113.799 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.02 158.99 53.85 Favored Glycine 0 C--N 1.318 -0.42 0 CA-C-O 122.163 0.868 . . . . 41.4 112.652 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 169.71 14.63 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.276 -0.543 . . . . 71.44 109.93 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 p -58.1 -35.96 72.19 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.42 0.526 . . . . 73.3 112.42 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.32 97.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.443 0.639 . . . . 74.54 109.829 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.11 -33.02 67.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.807 -0.633 . . . . 75.45 109.845 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.85 88.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 120.946 0.403 . . . . 74.22 111.051 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.44 -36.43 83.89 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.022 -1.048 . . . . 63.03 110.275 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.31 -36.18 82.27 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.94 -0.475 . . . . 75.33 110.151 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.595 -0.52 . . . . 75.23 109.595 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.88 -45.1 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 108.651 -0.87 . . . . 72.24 108.651 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.96 92.61 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 111.85 0.315 . . . . 71.24 111.85 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -65.31 -41.08 94.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.109 0.481 . . . . 72.13 110.716 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.11 -38.52 74.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.952 -0.567 . . . . 72.32 109.535 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -32.2 73.77 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.251 0.834 . . . . 75.33 113.251 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.28 -41.83 27.21 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.822 -0.751 . . . . 52.13 110.445 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -85.46 -32.12 22.46 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 115.015 1.487 . . . . 64.44 115.015 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.15 -23.82 11.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.863 -0.608 . . . . 62.1 110.482 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.62 19.52 75.82 Favored Glycine 0 C--O 1.23 -0.154 0 C-N-CA 120.609 -0.805 . . . . 73.54 114.261 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.53 153.6 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.491 0.662 . . . . 75.33 110.94 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -124.08 128.7 49.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.743 -0.836 . . . . 75.31 108.743 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.25 140.31 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 107.795 -1.187 . . . . 63.32 107.795 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.78 152.96 59.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.851 -2.299 . . . . 63.2 112.386 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 tp -60.47 -20.61 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 115.618 -0.719 . . . . 73.25 110.079 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -59.87 -38.97 83.68 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.022 -0.423 . . . . 70.12 110.988 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.57 -29.95 41.47 Favored 'General case' 0 C--O 1.207 -1.153 0 C-N-CA 121.001 -0.28 . . . . 35.14 110.612 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.39 -35.53 77.81 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.606 -0.437 . . . . 73.31 110.116 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -73.25 -30.68 63.62 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.731 -0.605 . . . . 71.41 111.113 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -77.8 -26.05 49.39 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.362 0.601 . . . . 70.0 110.861 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -142.85 76.75 16.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 123.727 0.811 . . . . 42.51 110.262 -173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.87 -6.93 17.19 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 N-CA-C 115.101 1.154 . . . . 73.53 115.101 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.2 p -96.21 142.72 24.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 121.51 -0.744 . . . . 74.25 111.436 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.9 -39.43 78.41 Favored 'Trans proline' 0 N--CA 1.482 0.85 0 N-CA-C 116.423 1.663 . . . . 62.33 116.423 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.27 76.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 123.117 1.437 . . . . 73.14 112.642 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.11 50.26 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.214 -0.903 . . . . 70.34 112.895 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.74 -38.66 81.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.787 -1.19 . . . . 73.51 107.787 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.43 93.68 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.303 0.853 . . . . 70.35 113.303 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.55 -29.95 69.46 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.234 -0.916 . . . . 72.31 111.355 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.63 72.12 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 121.61 0.719 . . . . 74.55 109.703 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.3 tp -71.15 -35.35 71.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.433 0.635 . . . . 62.14 111.266 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.69 78.48 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.45 -0.781 . . . . 60.13 109.26 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.83 68.77 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.56 0.578 . . . . 75.14 112.56 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -76.14 -20.68 57.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.668 0.247 . . . . 62.02 111.668 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.8 t -86.68 -28.48 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 50.21 109.951 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.13 38.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.574 . . . . 72.03 109.614 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -80.95 142.21 33.71 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.667 -0.494 . . . . 72.54 109.667 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -143.8 175.56 9.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.167 -1.79 . . . . 75.0 106.167 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -62.23 154.41 27.6 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 109.531 -0.544 . . . . 72.13 109.531 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -62.2 145.93 93.12 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 108.84 -0.8 . . . . 72.03 108.84 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.34 149.61 57.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 117.388 -1.274 . . . . 72.33 111.663 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.9 160.29 24.76 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.328 -0.99 . . . . 71.21 108.328 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -82.7 150.33 26.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.534 -0.913 . . . . 70.21 108.534 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.78 9.02 42.98 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.709 0.404 . . . . 71.23 112.068 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 tttp . . . . . 0 C--O 1.25 1.128 0 N-CA-C 108.668 -0.864 . . . . 61.23 108.668 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 CA-C-O 118.822 -0.988 . . . . 74.12 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.24 160.15 29.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.748 -1.204 . . . . 63.32 107.748 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 mmt -115.7 164.17 14.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.59 123.08 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.767 -0.827 . . . . 42.41 108.767 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -94.21 136.47 34.47 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 107.229 -1.396 . . . . 75.23 107.229 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.92 157.96 37.46 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.785 -0.82 . . . . 63.12 108.785 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.82 148.01 35.56 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 117.264 -1.357 . . . . 72.45 111.531 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -102.17 -40.11 6.95 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.416 -0.957 . . . . 70.23 108.416 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -103.26 143.62 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.049 0.452 . . . . 61.54 111.262 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.34 86.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.811 1.041 . . . . 54.43 113.811 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -26.37 68.44 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 121.819 -0.551 . . . . 63.05 112.016 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.68 -32.14 68.86 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 120.859 0.362 . . . . 72.32 111.146 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -68.04 -30.91 70.24 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 116.146 -0.479 . . . . 71.04 112.124 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.37 -38.26 39.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 105.868 -1.901 . . . . 71.34 105.868 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.51 -40.84 73.27 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.465 -0.939 . . . . 62.44 108.465 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.55 -36.25 71.4 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 116.09 -0.504 . . . . 74.13 111.511 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 -41.49 61.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 120.923 -1.11 . . . . 75.43 110.605 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 113.257 -1.792 . . . . 64.13 112.525 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -65.52 -47.03 77.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.095 -1.003 . . . . 70.02 109.016 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -36.87 85.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 112.599 0.592 . . . . 71.11 112.599 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.87 -41.48 96.02 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.441 0.639 . . . . 73.23 110.673 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.18 -36.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.967 -174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.63 -20.02 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.669 -0.241 . . . . 62.5 111.403 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 40.82 52.2 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.953 -0.641 . . . . 73.13 112.859 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m -112.24 161.44 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.334 1.235 . . . . 65.21 114.334 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.78 -29.95 66.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.488 -1.233 . . . . 62.33 111.935 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -157.5 145.98 19.36 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.726 1.01 . . . . 73.14 113.726 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.41 144.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 104.546 -2.39 . . . . 65.24 104.546 171.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.13 161.12 15.69 Favored Glycine 0 C--O 1.22 -0.765 0 N-CA-C 108.164 -1.974 . . . . 71.21 108.164 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.25 -6.48 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.417 1.109 . . . . 74.13 113.409 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.91 1.14 17.39 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.785 0.834 . . . . 73.51 110.551 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -77.99 123.25 26.59 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 105.751 -1.944 . . . . 72.53 105.751 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 149.12 29.07 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.039 -0.726 . . . . 75.52 109.039 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -58.74 -33.07 69.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.055 0.455 . . . . 71.3 110.114 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -77.27 -21.78 53.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.442 0.905 . . . . 74.42 113.442 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.99 -31.31 56.41 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.793 -1.188 . . . . 70.15 107.793 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.44 -0.21 19.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.51 -1.223 . . . . 73.33 111.51 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.39 76.56 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.156 -0.545 . . . . 54.35 113.33 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.92 143.3 43.21 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.975 -0.631 . . . . 55.21 112.858 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -104.54 164.9 11.42 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.016 -0.696 . . . . 73.52 109.946 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 t -55.78 -39.92 71.92 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.453 0.538 . . . . 60.33 112.453 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.28 98.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.907 -0.496 . . . . 61.1 111.438 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.62 -39.82 84.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.499 -0.926 . . . . 71.44 108.499 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.14 96.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 113.349 0.87 . . . . 74.5 113.349 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.2 mtm -67.46 -35.32 78.97 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 120.745 -1.222 . . . . 72.12 110.379 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -69.1 -31.36 70.03 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.523 -0.735 . . . . 75.11 110.375 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.35 -40.01 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.084 -0.339 . . . . 74.51 110.084 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.93 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.838 -0.801 . . . . 75.3 108.838 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.94 93.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 62.54 111.956 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -63.76 -40.46 96.75 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.343 -0.848 . . . . 74.4 111.314 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.2 -40.49 87.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.098 -0.705 . . . . 71.41 109.098 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -65.95 -42.83 89.48 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.628 -0.67 . . . . 73.3 110.427 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -36.83 85.56 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.759 0.651 . . . . 64.03 112.759 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -89.68 -40.93 12.22 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.538 1.311 . . . . 72.33 114.538 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.2 -13.48 15.41 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.876 0.695 . . . . 71.11 112.876 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.8 18.27 77.43 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.385 -0.436 . . . . 73.42 113.243 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.8 149.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.078 0.466 . . . . 63.44 111.315 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.72 144.34 47.29 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.798 -0.445 . . . . 73.42 109.798 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.4 121.75 6.54 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.238 -1.393 . . . . 72.14 107.238 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.85 155.55 62.12 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.801 -2.333 . . . . 52.45 113.528 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.38 -24.42 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.017 -0.538 . . . . 71.2 111.546 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 49.9 mtm105 -62.73 -36.39 82.84 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.456 -0.338 . . . . 74.32 111.776 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -79.34 -38.28 35.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.84 -0.43 . . . . 63.33 109.84 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -33.61 72.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.832 0.308 . . . . 72.24 111.832 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.21 -32.04 73.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.1 -0.375 . . . . 73.54 111.084 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 m -89.68 -6.21 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.43 . . . . 72.43 111.724 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 p -143.83 64.55 13.22 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.032 0.444 . . . . 74.15 110.699 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -75.44 -1.67 11.6 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 N-CA-C 116.32 1.623 . . . . 71.35 116.32 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.3 p -101.75 154.63 37.18 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 118.661 0.664 . . . . 71.14 110.268 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.57 -39.94 73.87 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 117.199 -1.401 . . . . 61.13 115.106 173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.25 77.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 119.705 -0.798 . . . . 63.25 111.074 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.03 90.07 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.711 -0.677 . . . . 75.52 111.717 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.81 -39.44 83.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 110.075 -0.343 . . . . 64.24 110.075 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -70.93 -33.22 70.29 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.321 -0.551 . . . . 64.42 110.7 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.63 94.52 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 121.304 0.573 . . . . 52.42 110.16 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.164 0.507 . . . . 74.24 110.932 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.22 78.71 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.884 -0.51 . . . . 62.53 109.716 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.16 82.51 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 122.39 -0.194 . . . . 70.11 111.472 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.28 -34.15 77.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.086 0.47 . . . . 71.1 110.538 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -73.22 -38.97 65.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.568 . . . . 71.51 111.801 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 97.81 3.36 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.839 0.352 . . . . 71.3 110.959 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.1 t -137.0 148.42 46.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.019 -0.363 . . . . 62.3 110.019 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -76.23 135.91 39.69 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.124 -0.695 . . . . 75.0 109.124 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -64.33 138.51 58.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.703 0.763 . . . . 74.14 111.472 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -81.14 154.77 72.44 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.625 -0.879 . . . . 73.3 108.625 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.03 1.72 8.37 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 N-CA-C 113.71 0.619 . . . . 64.11 113.71 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -107.09 167.44 9.9 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 106.902 -1.518 . . . . 74.45 106.902 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -99.51 147.01 25.76 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 113.327 -1.761 . . . . 72.42 108.408 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 44.07 33.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.993 2.117 . . . . 73.4 113.732 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 117.273 -1.346 . . . . 70.33 108.175 -174.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 CA-C-O 119.796 -0.447 . . . . 61.44 112.633 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.89 -159.06 0.98 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 105.766 -1.939 . . . . 70.13 105.766 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -57.53 -39.73 77.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 107.988 -1.115 . . . . 72.11 107.988 173.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 125.5 33.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.254 -1.758 . . . . 64.43 106.254 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 51.25 65.77 1.39 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.725 1.009 . . . . 73.05 113.725 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.19 -48.49 94.1 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 113.864 1.061 . . . . 53.53 113.864 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.7 164.07 32.72 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 115.637 -2.442 . . . . 73.01 113.001 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -106.01 -54.73 2.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.485 -0.325 . . . . 71.42 110.939 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -102.76 152.91 20.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.077 0.769 . . . . 53.11 113.077 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.57 77.06 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.731 -0.606 . . . . 43.21 112.229 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -26.75 65.0 Favored 'General case' 0 C--O 1.206 -1.216 0 C-N-CA 123.016 0.526 . . . . 65.13 111.632 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.6 -32.53 65.35 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.094 0.405 . . . . 75.34 112.094 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -66.07 -34.66 78.57 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.679 -0.408 . . . . 73.24 111.763 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.68 -39.21 46.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 105.422 -2.066 . . . . 74.35 105.422 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.64 -41.06 79.93 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.913 -0.492 . . . . 54.25 110.149 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.6 m -56.53 -39.79 73.96 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 120.117 -0.633 . . . . 61.24 111.186 171.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.73 70.91 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 120.819 -1.176 . . . . 74.13 110.916 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.41 -35.57 80.85 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 112.506 -2.134 . . . . 64.04 112.056 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -68.08 -44.81 75.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.368 -0.975 . . . . 74.43 108.368 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.11 76.75 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 113.767 1.025 . . . . 73.05 113.767 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.35 -43.38 98.96 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.758 0.789 . . . . 73.22 110.879 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.5 mt -78.86 -37.48 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.015 -0.993 . . . . 52.45 110.86 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.61 -11.93 52.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.382 0.512 . . . . 74.45 112.382 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.21 35.61 56.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.682 -0.77 . . . . 75.4 114.802 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.03 165.76 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 122.654 1.216 . . . . 72.54 111.654 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -89.71 -16.55 30.12 Favored 'General case' 0 N--CA 1.407 -2.621 0 CA-C-N 114.959 -1.019 . . . . 63.5 110.232 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -162.94 144.77 10.15 Favored 'General case' 0 CA--C 1.506 -0.724 0 O-C-N 121.46 -0.775 . . . . 75.11 112.02 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -134.31 134.29 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 104.702 -2.333 . . . . 75.2 104.702 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.2 166.47 35.12 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 108.908 -1.677 . . . . 55.23 108.908 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.44 -7.1 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.642 -0.916 . . . . 71.32 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -107.63 -7.84 16.33 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.133 1.373 . . . . 64.01 111.778 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.14 120.67 20.02 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 108.112 -1.07 . . . . 71.23 108.112 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.1 143.48 31.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.897 -1.149 . . . . 52.34 107.897 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.06 -34.04 65.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.502 0.668 . . . . 71.53 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.84 -43.78 91.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.071 0.767 . . . . 71.32 113.071 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.15 -25.24 58.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.98 0.419 . . . . 71.21 109.917 -170.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.85 -5.52 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 72.13 111.175 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 11.67 57.97 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.514 -0.374 . . . . 62.02 113.242 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 147.95 50.94 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-O 122.399 0.999 . . . . 73.21 112.502 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.6 t -104.21 165.73 10.86 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 114.727 -0.736 . . . . 34.13 110.848 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -62.4 -34.88 77.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.875 0.369 . . . . 74.5 110.811 169.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.87 89.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.697 -0.627 . . . . 74.34 111.25 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.53 -35.29 68.04 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.479 -0.934 . . . . 73.33 108.479 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.47 91.24 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.356 -0.938 . . . . 53.1 111.216 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.05 -36.71 77.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.985 -1.072 . . . . 73.45 111.083 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -72.42 -32.16 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.767 -0.583 . . . . 45.41 109.685 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.2 tp -61.51 -39.8 92.3 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.589 -0.523 . . . . 74.25 109.589 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.14 -43.65 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.615 -0.513 . . . . 72.32 109.615 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.406 -0.361 . . . . 62.21 111.591 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -65.75 -40.6 92.27 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 121.192 0.52 . . . . 65.55 110.048 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.2 -39.47 80.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 O-C-N 121.736 -0.602 . . . . 73.53 109.422 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -33.41 75.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.382 -0.824 . . . . 71.42 112.995 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.55 -39.48 20.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.287 0.948 . . . . 73.53 110.917 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.0 -35.66 59.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 114.756 1.391 . . . . 75.12 114.756 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.67 -20.9 11.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.626 0.972 . . . . 44.15 113.626 -176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.56 16.95 74.52 Favored Glycine 0 CA--C 1.506 -0.525 0 N-CA-C 115.317 0.887 . . . . 73.41 115.317 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -121.47 133.21 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 121.283 -1.128 . . . . 71.23 112.001 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -89.14 98.79 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.16 -0.927 . . . . 73.03 110.491 -177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 tp -91.73 115.66 64.96 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 122.472 0.309 . . . . 64.02 111.791 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.66 154.33 39.37 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 116.371 -1.953 . . . . 64.11 113.915 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.87 -37.88 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 116.001 -0.545 . . . . 72.41 111.375 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -55.31 -43.49 74.9 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.257 -0.277 . . . . 63.14 111.04 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -72.91 -39.87 65.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.767 -0.373 . . . . 53.43 111.464 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -35.73 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.951 0.405 . . . . 61.54 111.695 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -78.5 -25.65 45.72 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.895 -0.503 . . . . 74.13 112.211 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.2 m -87.0 -9.38 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.071 0.462 . . . . 75.33 110.502 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -147.24 71.75 12.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 123.1 0.56 . . . . 73.45 109.733 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.58 -12.65 18.45 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 N-CA-C 115.032 1.128 . . . . 63.2 115.032 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -90.39 151.64 44.63 Favored Pre-proline 0 C--O 1.242 0.677 0 CA-C-N 118.467 0.576 . . . . 64.23 110.454 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.81 -37.06 92.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 N-CA-C 115.248 1.211 . . . . 60.22 115.248 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -32.82 73.93 Favored 'General case' 0 N--CA 1.426 -1.658 0 C-N-CA 119.407 -0.917 . . . . 74.42 110.779 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.23 -40.55 87.63 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 110.845 -0.902 . . . . 43.51 110.845 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.27 -42.9 84.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.785 -0.45 . . . . 73.22 109.785 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.71 97.0 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 113.042 0.756 . . . . 71.3 113.042 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -68.06 -30.33 69.51 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 120.736 -0.386 . . . . 55.44 110.637 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.16 81.67 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.672 -0.24 . . . . 73.01 110.943 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.95 -39.38 94.0 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 122.032 -0.417 . . . . 74.53 110.009 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.37 -26.25 68.36 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.56 0.578 . . . . 72.11 112.56 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.76 67.66 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.114 0.412 . . . . 63.13 112.114 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.1 -25.63 68.45 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.924 0.342 . . . . 64.15 111.924 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -82.5 -33.5 28.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.09 0.471 . . . . 72.42 110.05 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.51 -40.48 80.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 64.45 109.965 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.7 t -160.22 137.25 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 63.43 108.336 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.22 140.9 41.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.967 -0.753 . . . . 72.32 108.967 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -60.82 125.14 22.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.404 -0.362 . . . . 65.34 110.554 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -65.77 146.06 99.0 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 108.872 -0.788 . . . . 64.34 108.872 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.4 164.79 30.28 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 118.128 -0.781 . . . . 71.05 112.714 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -152.46 -174.36 4.87 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.205 -1.776 . . . . 64.21 106.205 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.18 147.22 52.58 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.135 -1.802 . . . . 74.53 106.135 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -144.8 175.96 9.8 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.139 -1.06 . . . . 63.41 108.139 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 115.476 -2.202 . . . . 73.25 105.614 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 CA-C-O 118.176 -1.347 . . . . 73.3 111.158 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 151.42 45.97 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.456 -0.942 . . . . 63.33 108.456 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptp -156.64 154.32 29.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.364 -1.717 . . . . 65.21 106.364 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.92 21.6 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.21 0.529 . . . . 62.33 111.277 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -137.86 163.92 30.23 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.766 -0.827 . . . . 74.4 108.766 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.56 159.68 71.3 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 104.302 -2.481 . . . . 52.2 104.302 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.46 147.87 71.99 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 116.121 -2.119 . . . . 74.43 113.375 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.48 -38.33 6.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.491 -0.929 . . . . 62.35 108.491 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -96.83 137.84 35.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.862 0.839 . . . . 72.53 110.461 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -21.6 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.829 -0.544 . . . . 54.21 112.218 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -24.79 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.034 -0.416 . . . . 74.32 111.364 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 53.6 mt-10 -59.42 -29.0 67.45 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 119.656 -0.211 . . . . 70.4 111.464 -176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -65.28 -32.94 74.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.592 0.59 . . . . 64.25 112.592 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.79 -35.15 24.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 N-CA-C 108.157 -1.053 . . . . 73.25 108.157 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 12' ' ' GLU . 18.1 mt -70.25 -50.6 37.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.245 -1.02 . . . . 73.22 108.245 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -50.44 -43.28 55.01 Favored 'General case' 0 C--O 1.251 1.166 0 N-CA-C 112.944 0.72 . . . . 54.31 112.944 172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.78 91.14 Favored 'General case' 0 C--O 1.189 -2.085 0 C-N-CA 118.629 -1.228 . . . . 51.33 113.208 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -32.47 74.17 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.595 0.712 . . . . 75.22 112.002 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.81 -48.96 69.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.938 -1.134 . . . . 75.13 107.938 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.8 87.48 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.44 0.533 . . . . 62.11 112.44 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.56 -40.18 93.79 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.3 0.571 . . . . 54.15 111.24 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.64 -36.03 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.215 0.45 . . . . 75.22 112.215 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.42 -18.02 34.88 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.694 0.627 . . . . 55.43 112.694 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.76 36.61 47.37 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.101 -0.571 . . . . 62.0 114.032 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -103.86 154.09 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.455 0.645 . . . . 74.24 112.53 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -70.85 -28.96 64.98 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.165 -0.47 . . . . 74.43 112.065 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -159.33 152.9 22.73 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.031 -0.729 . . . . 75.14 109.031 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.1 151.21 13.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 105.643 -1.984 . . . . 63.24 105.643 176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.61 172.38 15.94 Favored Glycine 0 C--N 1.319 -0.394 0 N-CA-C 109.81 -1.316 . . . . 75.34 109.81 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.01 -6.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.754 0.649 . . . . 73.31 112.754 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.25 -10.04 22.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.401 -0.818 . . . . 74.2 110.876 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -77.19 124.27 27.6 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.567 -0.531 . . . . 75.55 109.567 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.03 149.0 29.44 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.555 -1.276 . . . . 74.13 107.555 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -57.95 -28.47 64.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.747 0.784 . . . . 70.45 109.866 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -74.39 -38.29 63.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 74.33 112.146 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.77 -30.74 70.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.747 0.784 . . . . 72.3 109.987 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.01 0.03 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.018 -0.992 . . . . 62.54 112.013 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.52 24.82 64.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.061 -0.59 . . . . 72.3 112.779 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 170.66 37.45 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-O 123.048 1.36 . . . . 73.44 113.817 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 43' ' ' LEU . 2.3 t -114.83 162.16 17.25 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.2 -1.0 . . . . 71.3 111.109 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -64.15 -33.29 75.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 108.77 -0.826 . . . . 75.01 108.77 166.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.62 82.64 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.122 -0.986 . . . . 53.14 109.256 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' H ' ' HB3' ' A' ' 40' ' ' SER . 9.8 mp -66.25 -38.85 88.84 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 107.795 -1.187 . . . . 61.33 107.795 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.49 77.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.985 0.421 . . . . 61.41 110.646 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.5 mmt -70.12 -36.49 74.84 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 120.955 -1.091 . . . . 64.12 112.214 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -68.37 -31.43 70.79 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.992 -0.373 . . . . 75.13 109.992 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.07 -42.72 86.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.3 0.24 . . . . 61.33 111.091 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mt -61.76 -44.68 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.31 97.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.067 -0.515 . . . . 74.03 111.657 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -65.33 -40.51 93.77 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.737 -0.602 . . . . 73.33 110.849 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.35 -37.28 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 70.44 109.417 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -29.72 70.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.062 0.764 . . . . 61.22 113.062 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -75.45 -44.89 41.88 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.083 -0.647 . . . . 73.32 110.881 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -42.81 38.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.339 1.237 . . . . 72.23 114.339 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.4 -13.53 12.25 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.072 0.768 . . . . 65.2 113.072 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 17.44 79.98 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 115.924 1.129 . . . . 53.41 115.924 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.56 151.06 31.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.943 1.09 . . . . 44.4 113.943 -173.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -125.94 155.17 41.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.597 0.759 . . . . 62.04 111.02 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.02 147.54 48.2 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 104.13 -2.545 . . . . 64.21 104.13 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.26 154.82 65.42 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 115.3 -2.667 . . . . 60.51 111.287 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.84 -25.24 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.139 0.495 . . . . 75.11 110.698 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp-105 -60.84 -35.19 75.92 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.847 -0.533 . . . . 72.1 110.65 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.94 -33.75 45.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.601 -0.272 . . . . 74.15 110.706 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.05 -35.54 81.47 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 120.804 0.335 . . . . 73.15 110.841 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -70.67 -26.14 63.3 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.008 -0.432 . . . . 74.31 110.721 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.4 m -88.13 -5.73 58.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.924 0.392 . . . . 73.55 111.244 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -154.06 68.75 6.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 73.14 110.225 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -75.35 -10.05 20.51 Favored 'Trans proline' 0 C--O 1.217 -0.537 0 N-CA-C 116.959 1.869 . . . . 55.23 116.959 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.2 p -89.1 151.22 46.55 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 118.862 0.755 . . . . 61.22 110.025 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -54.62 -40.68 83.02 Favored 'Trans proline' 0 CA--C 1.504 -1.007 0 C-N-CA 117.082 -1.478 . . . . 43.5 114.25 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.74 74.01 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-O 122.747 1.261 . . . . 63.25 113.393 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.57 -44.85 62.06 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 114.27 -1.332 . . . . 62.42 112.438 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.28 -39.62 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 73.13 109.592 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.33 95.01 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.655 -0.418 . . . . 74.12 112.026 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.85 -33.8 74.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.54 -0.864 . . . . 63.43 111.692 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.61 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.685 0.755 . . . . 45.2 109.658 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.68 -42.26 95.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.179 -0.919 . . . . 75.33 109.903 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.55 84.84 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 122.0 -0.437 . . . . 72.15 110.775 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.4 98.42 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.478 0.547 . . . . 73.25 112.478 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -78.1 -19.55 53.93 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.98 -0.688 . . . . 72.23 111.824 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -84.27 -34.24 23.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.049 0.388 . . . . 73.1 112.049 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -1.34 58.02 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.184 0.516 . . . . 73.33 111.341 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -73.36 130.38 40.04 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 53.01 109.699 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -72.36 -23.31 61.11 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.177 -0.675 . . . . 75.12 109.177 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -89.45 123.32 33.48 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.761 -1.2 . . . . 74.24 107.761 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -66.81 142.75 97.66 Favored Pre-proline 0 C--O 1.239 0.544 0 CA-C-N 115.824 -0.626 . . . . 62.3 109.675 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.62 154.13 49.47 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 116.727 -1.715 . . . . 73.11 110.724 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -76.51 178.49 6.59 Favored 'General case' 0 C--O 1.196 -1.713 0 CA-C-O 122.591 1.186 . . . . 74.02 111.417 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -82.51 -17.03 46.51 Favored 'General case' 0 N--CA 1.401 -2.896 0 CA-C-N 112.142 -2.299 . . . . 62.22 111.061 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -77.43 139.14 39.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.391 -1.707 . . . . 72.1 106.391 172.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.246 0.91 0 CA-C-O 117.385 -1.293 . . . . 74.24 111.905 -174.256 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 118.693 -1.06 . . . . 71.13 111.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.39 38.26 27.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.742 0.817 . . . . 54.15 112.695 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 mtt -83.81 -16.07 45.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.629 -0.259 . . . . 73.11 110.707 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 30.93 12.0 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.084 0.865 . . . . 72.15 111.374 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.91 133.45 7.06 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 107.234 -1.395 . . . . 34.23 107.234 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.01 165.06 0.12 Allowed Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 124.99 1.431 . . . . 62.14 112.365 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.18 144.13 50.85 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 115.923 -2.251 . . . . 54.33 113.072 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -90.73 -56.73 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.319 0.581 . . . . 64.52 109.704 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -88.15 149.07 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 34.13 108.021 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.67 70.43 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 112.867 0.692 . . . . 74.02 112.867 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -31.27 72.39 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 121.096 -1.002 . . . . 63.34 111.27 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -61.87 -29.92 70.51 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 121.701 -0.624 . . . . 71.12 112.394 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -67.19 -34.17 76.95 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 124.305 1.003 . . . . 72.43 110.984 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -40.13 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.64 -1.615 . . . . 65.35 106.64 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.33 -41.64 80.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.517 -0.549 . . . . 75.33 109.517 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -43.69 73.73 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 124.008 0.818 . . . . 62.3 111.801 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.67 94.27 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.743 -0.383 . . . . 74.43 111.465 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -34.39 77.92 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.109 0.564 . . . . 74.21 112.195 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.85 -48.61 68.31 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 107.867 -1.16 . . . . 75.33 107.867 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.426 0.528 . . . . 71.33 112.426 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.32 -39.9 92.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.73 0.776 . . . . 71.43 111.903 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -82.71 -37.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.192 -0.458 . . . . 60.22 110.544 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.74 -14.62 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.259 0.466 . . . . 63.02 112.259 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.96 34.68 41.58 Favored Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 114.801 0.68 . . . . 75.13 114.801 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.82 158.08 13.33 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 108.151 -1.055 . . . . 73.32 108.151 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.59 -17.98 30.73 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.642 -0.661 . . . . 75.33 111.167 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -159.55 139.25 11.52 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.802 -0.814 . . . . 74.31 108.802 -171.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.61 147.46 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 106.712 -1.588 . . . . 74.02 106.712 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.06 168.55 39.12 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.334 -1.106 . . . . 22.35 110.334 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.78 -6.34 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.85 -0.794 . . . . 73.32 110.021 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -109.42 -1.0 18.69 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.084 1.354 . . . . 74.42 110.278 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -76.77 123.16 25.79 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.01 -1.108 . . . . 71.3 108.01 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 142.06 40.87 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.039 -1.467 . . . . 50.2 107.039 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.76 -36.77 65.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.261 0.553 . . . . 71.31 110.512 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -78.23 -21.05 50.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.391 1.256 . . . . 65.32 114.391 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.85 -30.88 65.92 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 107.754 -1.202 . . . . 74.43 107.754 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.84 3.87 9.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 113.843 -1.526 . . . . 73.5 111.897 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.61 83.6 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.304 0.391 . . . . 60.44 112.336 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.99 145.15 49.06 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 122.875 1.264 . . . . 51.54 111.91 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.72 169.96 8.46 Favored 'General case' 0 CA--C 1.477 -1.852 0 CA-C-N 114.243 -0.978 . . . . 65.13 111.432 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -58.09 -33.0 68.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.653 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.14 89.51 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.864 -0.522 . . . . 74.41 111.142 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -31.99 67.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.225 0.953 . . . . 73.44 110.06 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.19 77.34 Favored 'General case' 0 C--O 1.197 -1.68 0 N-CA-C 108.606 -0.887 . . . . 63.43 108.606 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.73 -32.17 73.72 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 119.142 0.883 . . . . 70.31 110.578 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -74.14 -30.59 62.36 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.79 -0.569 . . . . 63.0 109.939 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.21 -40.07 92.58 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 109.347 -0.612 . . . . 61.41 109.347 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -62.15 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 109.043 -0.725 . . . . 64.15 109.043 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.15 78.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.186 0.439 . . . . 74.01 112.186 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -67.38 -40.25 85.69 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 120.626 -0.43 . . . . 74.23 111.294 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.9 mt -58.74 -41.43 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.413 -0.588 . . . . 71.44 109.413 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -66.79 -34.72 78.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.193 -0.942 . . . . 74.02 110.919 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -70.77 -44.24 67.11 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 112.806 0.669 . . . . 73.33 112.806 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -86.38 -26.43 24.79 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.769 1.396 . . . . 71.34 114.769 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.27 -16.58 11.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.07 -0.514 . . . . 53.44 111.933 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.49 17.11 79.82 Favored Glycine 0 C--N 1.317 -0.504 0 C-N-CA 121.266 -0.492 . . . . 53.34 113.74 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.28 138.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.15 0.976 . . . . 63.13 113.214 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.21 125.4 30.25 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.273 -1.38 . . . . 74.12 107.273 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -121.79 105.59 37.9 Favored Pre-proline 0 N--CA 1.445 -0.696 0 N-CA-C 109.524 -0.547 . . . . 72.02 109.524 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.08 148.24 62.58 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 117.243 -1.371 . . . . 74.41 112.152 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.31 -23.38 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.264 0.554 . . . . 74.54 111.6 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -62.24 -35.33 78.6 Favored 'General case' 0 C--O 1.221 -0.415 0 O-C-N 121.654 -0.654 . . . . 74.43 111.78 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.31 -34.09 59.03 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 122.063 -0.398 . . . . 64.21 111.107 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.94 -35.12 79.63 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.774 -0.371 . . . . 73.14 111.165 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -70.13 -25.78 63.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.345 0.593 . . . . 53.31 110.703 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -89.76 -11.46 42.14 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.099 -0.501 . . . . 72.32 111.43 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 p -150.79 77.75 7.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.878 0.471 . . . . 54.52 110.242 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -76.57 -13.2 18.34 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 N-CA-C 115.073 1.143 . . . . 75.51 115.073 -175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.8 p -94.96 150.47 37.81 Favored Pre-proline 0 C--O 1.242 0.668 0 CA-C-O 118.838 -0.601 . . . . 74.04 111.268 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.67 -39.46 88.94 Favored 'Trans proline' 0 C--N 1.353 0.777 0 N-CA-C 114.382 0.878 . . . . 51.55 114.382 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.11 67.42 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 122.528 1.156 . . . . 72.52 113.309 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.47 -39.12 26.83 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 75.5 110.873 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.1 t -66.54 -39.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 118.129 0.964 . . . . 73.13 110.029 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.38 91.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.832 -1.147 . . . . 72.25 113.467 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -75.92 -29.9 58.55 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.923 -0.711 . . . . 63.15 109.833 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.39 87.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.539 -0.3 . . . . 44.44 110.733 175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.51 -48.28 80.24 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.661 -0.649 . . . . 75.31 110.077 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.73 82.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.985 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.26 87.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.33 -0.395 . . . . 72.23 110.868 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.046 0.451 . . . . 74.44 109.79 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 m -74.31 -14.0 60.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.426 0.898 . . . . 63.05 113.426 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 54.26 59.27 4.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.354 0.662 . . . . 73.14 111.466 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 m -57.17 -19.54 21.04 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.27 1.211 . . . . 53.23 114.27 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -150.27 165.18 33.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.588 -2.004 . . . . 73.53 105.588 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -59.05 148.03 32.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.319 0.581 . . . . 60.14 112.541 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -70.4 151.11 95.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.684 -1.228 . . . . 72.52 107.684 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -76.96 43.83 1.35 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 121.001 1.134 . . . . 71.33 113.956 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -156.72 164.09 38.53 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.964 -1.495 . . . . 61.44 106.964 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -79.6 142.27 35.8 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.157 -1.424 . . . . 53.33 107.157 172.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -150.52 172.13 15.97 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 107.83 -1.174 . . . . 52.02 107.83 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 CA--C 1.506 -0.712 0 N-CA-C 105.46 -2.052 . . . . 71.14 105.46 -179.453 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 CA-C-O 119.006 -0.885 . . . . 74.1 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 164.91 33.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.659 -1.608 . . . . 70.32 106.659 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.5 mtp -74.78 -16.36 60.72 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 117.732 0.242 . . . . 73.43 111.6 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.77 40.84 28.5 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.287 0.635 . . . . 53.24 111.08 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -133.04 155.62 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.089 -0.708 . . . . 53.31 109.089 -176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.1 166.79 20.13 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 104.727 -2.323 . . . . 42.32 104.727 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.56 171.97 9.93 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 117.286 -1.343 . . . . 43.05 113.173 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 59.27 35.7 23.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 122.298 1.047 . . . . 72.24 111.621 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 m -68.87 158.66 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.763 -0.829 . . . . 65.42 108.763 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.62 62.3 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 116.293 1.96 . . . . 73.54 116.293 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -24.93 57.6 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 119.178 0.899 . . . . 70.33 111.84 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.72 -30.51 70.76 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.139 -0.976 . . . . 64.23 109.121 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -67.69 -30.76 70.36 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 119.882 -0.727 . . . . 61.24 111.711 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -33.69 25.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 120.457 -1.402 . . . . 42.23 107.502 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.98 -38.22 66.76 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.388 -0.82 . . . . 61.04 109.133 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.48 -36.44 76.02 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 112.316 0.487 . . . . 74.32 112.316 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.0 84.68 Favored 'General case' 0 C--O 1.183 -2.431 0 C-N-CA 118.282 -1.367 . . . . 73.34 110.827 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -33.53 74.96 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.134 -1.394 . . . . 71.43 114.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.71 -47.97 50.36 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.557 -1.275 . . . . 70.2 107.557 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.89 77.06 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 112.937 0.717 . . . . 43.24 112.937 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -37.16 84.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.22 0.534 . . . . 62.21 111.685 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -84.38 -39.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.794 -0.639 . . . . 72.44 110.304 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.54 -20.41 40.06 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 112.861 0.689 . . . . 72.44 112.861 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.26 34.59 36.34 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 114.279 0.472 . . . . 32.21 114.279 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 m -106.32 150.99 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 121.295 0.569 . . . . 52.23 111.416 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.38 -29.22 62.48 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.338 0.59 . . . . 74.51 112.044 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -155.78 151.54 27.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.728 -1.212 . . . . 72.44 107.728 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.9 146.35 19.37 Favored 'Isoleucine or valine' 0 C--O 1.25 1.089 0 N-CA-C 105.017 -2.216 . . . . 60.42 105.017 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.75 169.26 33.76 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 111.011 -0.836 . . . . 73.31 111.011 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -75.14 -15.88 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.652 -0.911 . . . . 63.0 112.657 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.88 2.69 23.61 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.153 0.581 . . . . 70.24 111.16 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -73.67 120.88 19.87 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.648 -1.242 . . . . 74.42 107.648 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.97 147.88 28.98 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.044 -0.725 . . . . 63.43 109.044 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.09 -27.82 62.09 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.406 0.622 . . . . 64.04 111.147 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.704 0.631 . . . . 64.3 112.704 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.4 -31.04 71.56 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.008 -0.738 . . . . 73.31 109.008 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -77.41 -0.65 26.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.025 -0.989 . . . . 74.54 112.518 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.6 16.96 80.31 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 114.293 0.477 . . . . 63.11 114.293 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.9 151.5 42.69 Favored Glycine 0 N--CA 1.442 -0.914 0 O-C-N 121.673 -0.898 . . . . 75.33 113.217 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -96.07 159.54 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.5 -1.0 . . . . 75.25 109.609 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 p -65.34 -24.38 67.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.521 -0.918 . . . . 73.14 108.521 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.416 -0.356 . . . . 72.32 110.374 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.9 -34.56 64.45 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.321 -1.363 . . . . 72.54 107.321 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.21 71.35 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.006 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.66 -35.47 81.12 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.596 -0.69 . . . . 65.02 110.205 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -72.08 -34.07 68.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.109 0.481 . . . . 72.22 109.866 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.19 -39.64 87.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 73.11 109.395 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.05 -47.59 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-O 121.01 0.433 . . . . 74.02 110.205 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.76 79.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.192 0.441 . . . . 71.24 112.192 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -65.4 -38.12 89.02 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.402 0.62 . . . . 72.44 110.942 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.89 -38.48 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 109.335 -0.617 . . . . 34.35 109.335 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.38 -31.09 71.64 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.123 -0.986 . . . . 74.01 111.973 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.842 -0.343 . . . . 63.43 111.086 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -94.7 -32.28 13.42 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 116.219 1.933 . . . . 72.25 116.219 -172.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.27 -14.4 14.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.492 -0.322 . . . . 74.11 110.53 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.29 14.73 76.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 116.088 1.195 . . . . 64.14 116.088 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.54 128.13 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 122.553 1.168 . . . . 72.33 111.903 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -78.11 107.44 10.68 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.161 -1.381 . . . . 73.44 107.457 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.26 110.15 63.71 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 122.582 0.353 . . . . 71.13 111.688 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.83 153.72 48.17 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 115.217 -2.722 . . . . 74.43 113.123 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.83 -25.09 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.649 -0.705 . . . . 71.42 111.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -66.15 -36.44 83.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.555 -0.716 . . . . 74.51 111.134 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -72.31 -39.53 68.16 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 108.895 -0.779 . . . . 70.4 108.895 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.58 -35.29 75.73 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 111.921 0.341 . . . . 70.14 111.921 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.98 -20.43 60.34 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.37 -0.532 . . . . 71.31 112.075 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -96.8 -8.11 31.96 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.267 0.556 . . . . 73.4 110.267 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -147.3 68.27 11.11 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 123.74 0.816 . . . . 73.53 109.218 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.4 -3.33 12.93 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 N-CA-C 114.874 1.067 . . . . 74.51 114.874 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 p -103.82 155.36 37.11 Favored Pre-proline 0 C--O 1.246 0.889 0 C-N-CA 122.89 0.476 . . . . 63.35 110.169 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 -40.39 83.45 Favored 'Trans proline' 0 N--CA 1.486 1.045 0 N-CA-C 114.888 1.072 . . . . 71.13 114.888 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.49 74.2 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-O 123.02 1.391 . . . . 63.15 111.739 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.82 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.182 -0.917 . . . . 73.03 112.509 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.43 -34.87 64.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 121.826 -0.808 . . . . 42.34 108.894 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.55 95.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.986 0.735 . . . . 70.41 112.986 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -70.9 -28.97 64.93 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.442 -0.786 . . . . 73.34 109.841 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.71 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.272 0.558 . . . . 20.33 110.198 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.39 -37.79 88.65 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.862 -0.524 . . . . 74.32 110.353 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.84 74.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 122.097 -0.377 . . . . 53.1 110.153 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.87 -33.27 62.06 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.486 -0.485 . . . . 64.11 110.792 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.0 -36.28 81.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.778 -0.369 . . . . 62.31 110.798 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 p -78.36 -11.0 59.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.001 0.371 . . . . 72.52 112.001 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.66 164.26 26.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.251 0.548 . . . . 52.02 109.725 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -67.42 154.69 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.635 -0.711 . . . . 64.01 110.036 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 62.1 m95 67.41 14.92 9.79 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.646 1.35 . . . . 64.34 114.646 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.4 p -72.83 150.1 43.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.548 -1.279 . . . . 54.41 107.548 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -67.9 136.69 92.21 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.33 -0.619 . . . . 75.53 109.33 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.06 175.36 10.98 Favored 'Trans proline' 0 N--CA 1.469 0.083 0 CA-C-O 121.612 0.588 . . . . 71.43 112.629 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -140.92 173.96 10.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 103.922 -2.622 . . . . 75.53 103.922 172.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -98.93 124.92 44.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 124.137 0.898 . . . . 63.34 109.809 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -82.26 165.45 20.41 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.835 -1.542 . . . . 74.15 106.835 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.3 pttp . . . . . 0 C--O 1.252 1.235 0 CA-C-O 117.554 -1.212 . . . . 65.31 111.255 -176.285 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 118.678 -1.068 . . . . 73.13 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.4 40.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.905 -1.146 . . . . 75.21 107.905 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.34 165.04 14.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.271 -1.381 . . . . 42.55 107.271 175.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.29 139.1 52.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.522 -1.288 . . . . 74.3 107.522 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -157.55 -95.0 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.351 0.407 . . . . 62.53 110.255 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.75 -53.84 0.01 OUTLIER Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.348 0.659 . . . . 64.41 109.461 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.3 -179.43 4.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 115.2 -2.733 . . . . 75.03 109.207 168.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 69.11 17.7 8.41 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.581 1.552 . . . . 61.3 111.109 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -72.58 135.63 45.59 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 107.57 -1.27 . . . . 64.11 107.57 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.41 -29.94 66.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.406 1.261 . . . . 72.42 114.406 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -26.1 67.7 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 122.263 -0.273 . . . . 71.31 111.637 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -56.96 -32.22 65.8 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 122.256 1.027 . . . . 42.53 112.373 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -63.41 -34.17 77.16 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 120.471 -1.393 . . . . 73.23 111.888 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -38.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 107.301 -1.37 . . . . 52.44 107.301 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -45.31 68.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 118.657 -0.687 . . . . 64.34 111.722 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.6 m -61.11 -38.09 85.11 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 118.953 0.797 . . . . 73.34 111.406 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.78 95.01 Favored 'General case' 0 C--O 1.18 -2.604 0 N-CA-C 114.562 1.319 . . . . 73.24 114.562 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.26 -31.92 73.03 Favored 'General case' 0 C--N 1.309 -1.164 0 O-C-N 125.395 1.684 . . . . 74.14 111.628 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.17 -46.0 75.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.062 . . . . 75.44 108.134 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.38 77.66 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.42 0.526 . . . . 45.33 112.42 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.68 -42.5 97.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.65 0.738 . . . . 61.42 111.425 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.39 -36.61 14.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.572 -0.74 . . . . 62.3 110.489 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.85 -17.04 42.25 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 112.655 0.613 . . . . 74.14 112.655 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.82 31.74 61.98 Favored Glycine 0 C--O 1.221 -0.682 0 C-N-CA 120.806 -0.711 . . . . 71.33 112.043 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.48 159.83 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 114.374 1.249 . . . . 73.1 114.374 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.76 -26.0 59.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.154 -1.385 . . . . 62.4 111.921 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -154.92 147.57 24.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.17 129.56 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 106.795 -1.557 . . . . 62.44 106.795 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 172.71 42.31 Favored Glycine 0 C--O 1.217 -0.938 0 N-CA-C 110.372 -1.091 . . . . 62.23 110.372 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.23 -12.97 15.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 121.545 -0.974 . . . . 65.21 110.88 178.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -110.13 -2.34 16.98 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.968 1.307 . . . . 73.22 112.912 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.2 121.77 23.38 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.02 -1.104 . . . . 75.33 108.02 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.08 154.03 33.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 106.894 -1.521 . . . . 74.41 106.894 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -57.31 -34.7 68.99 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.314 0.578 . . . . 54.53 111.247 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -81.34 -19.03 43.66 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.064 1.135 . . . . 73.21 114.064 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.99 -30.97 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.594 -1.262 . . . . 70.23 107.594 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.99 1.08 16.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.388 -1.278 . . . . 71.35 111.211 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.3 13.9 62.95 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.58 -0.343 . . . . 62.22 112.323 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.56 177.49 37.05 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-O 122.73 1.183 . . . . 73.01 113.011 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -143.15 167.51 21.94 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.242 -1.152 . . . . 65.14 111.41 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -67.09 -31.74 72.43 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.428 -0.795 . . . . 35.05 109.245 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.7 89.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.92 -1.037 . . . . 74.44 109.579 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.95 -29.98 55.83 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 121.073 -1.017 . . . . 74.34 108.985 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.06 72.11 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.493 -0.754 . . . . 62.44 110.916 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.6 mtp -60.22 -32.81 71.47 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.465 -0.772 . . . . 75.12 111.096 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -72.09 -37.21 69.63 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.612 -0.885 . . . . 71.15 108.612 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.22 -39.77 91.49 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.414 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.52 -47.85 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.116 -0.698 . . . . 70.2 109.116 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.31 87.48 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.802 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.08 -41.18 91.06 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 121.835 -0.541 . . . . 72.34 111.043 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.84 -41.59 93.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.306 -0.998 . . . . 75.03 108.306 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -66.3 -40.96 90.35 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.001 -0.68 . . . . 73.51 110.064 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -45.91 91.72 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 112.268 0.47 . . . . 73.33 112.268 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -86.38 -35.87 19.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.122 1.527 . . . . 74.35 115.122 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.37 -9.87 15.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.62 0.6 . . . . 62.11 112.62 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.01 80.12 Favored Glycine 0 N--CA 1.46 0.296 0 N-CA-C 115.169 0.828 . . . . 24.14 115.169 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.52 126.62 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 122.153 0.977 . . . . 74.02 113.473 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -80.15 112.89 17.9 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.896 -0.779 . . . . 65.01 108.896 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.5 tp -106.67 105.71 55.66 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 121.308 0.575 . . . . 73.53 110.218 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.15 149.41 58.01 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 115.807 -2.329 . . . . 62.3 113.099 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.28 -30.79 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.945 0.72 . . . . 72.22 112.945 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -64.16 -34.93 79.2 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 121.559 -0.713 . . . . 74.43 111.367 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.39 -33.48 58.87 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.362 -0.381 . . . . 74.12 110.012 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.39 87.02 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.044 0.449 . . . . 75.4 111.17 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -74.84 -19.81 60.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.858 -0.527 . . . . 72.05 111.284 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -88.49 -7.5 56.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.309 0.576 . . . . 60.21 110.442 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -156.1 73.55 5.07 Favored Pre-proline 0 C--O 1.222 -0.382 0 C-N-CA 123.202 0.601 . . . . 73.23 109.755 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.68 -9.91 15.8 Favored 'Trans proline' 0 C--N 1.346 0.431 0 N-CA-C 115.182 1.185 . . . . 64.32 115.182 -172.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.2 p -96.93 153.52 38.55 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 109.635 -0.506 . . . . 73.53 109.635 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -55.7 -39.65 89.85 Favored 'Trans proline' 0 C--N 1.351 0.679 0 N-CA-C 116.194 1.575 . . . . 74.33 116.194 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.52 -24.89 65.61 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.579 -0.848 . . . . 73.34 111.42 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.48 18.22 Favored Glycine 0 C--N 1.308 -0.988 0 N-CA-C 110.615 -0.994 . . . . 63.51 110.615 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.22 -39.38 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 O-C-N 122.434 -0.451 . . . . 45.22 110.74 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.83 90.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.128 0.788 . . . . 72.25 113.128 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -75.17 -29.43 60.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.299 -0.56 . . . . 74.5 110.582 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.28 93.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.419 -0.355 . . . . 64.02 110.949 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.33 -41.8 93.57 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.156 -0.312 . . . . 74.02 110.156 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.12 93.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.762 0.315 . . . . 74.33 110.779 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.7 94.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.47 . . . . 70.24 110.498 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.92 -37.27 85.63 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.0 -0.546 . . . . 73.43 110.767 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.1 t -59.26 -29.35 67.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.519 0.563 . . . . 72.44 112.519 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.33 42.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.258 0.836 . . . . 73.42 113.258 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 m -127.13 19.47 6.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.684 0.278 . . . . 53.33 111.445 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -72.92 129.91 39.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.732 -0.47 . . . . 73.31 109.732 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -91.59 172.81 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 53.33 110.624 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 152.13 60.83 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 110.072 -0.344 . . . . 73.14 110.072 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.07 -10.06 22.52 Favored 'Trans proline' 0 CA--C 1.546 1.105 0 N-CA-C 113.826 0.664 . . . . 53.23 113.826 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -81.96 172.08 13.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.755 -0.831 . . . . 75.41 108.755 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -128.56 158.21 39.09 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.381 -1.34 . . . . 73.22 107.381 173.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -124.65 167.88 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.186 -1.042 . . . . 74.33 108.186 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.09 -1.433 . . . . 74.21 111.198 -176.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 CA-C-O 119.151 -0.805 . . . . 52.02 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.43 153.39 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.128 0.964 . . . . 62.54 109.024 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -103.98 3.12 33.12 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.315 0.487 . . . . 72.21 112.315 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.37 78.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.167 1.173 . . . . 74.44 114.167 -172.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -106.35 140.33 39.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.101 0.477 . . . . 71.51 110.789 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.01 160.12 65.25 Favored Pre-proline 0 C--N 1.317 -0.81 0 N-CA-C 104.411 -2.44 . . . . 72.21 104.411 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.71 147.32 56.53 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 115.84 -2.306 . . . . 74.11 112.036 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -102.87 -41.68 6.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.627 -1.249 . . . . 73.44 107.627 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.1 m -103.49 150.43 23.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.302 0.572 . . . . 71.34 110.71 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.71 79.65 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.104 1.52 . . . . 61.52 115.104 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.88 66.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.755 -0.591 . . . . 75.12 110.896 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.31 -30.99 70.83 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 121.609 -0.682 . . . . 73.22 110.244 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -67.74 -32.98 73.98 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 124.444 1.09 . . . . 74.55 112.17 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.1 -39.48 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 106.847 -1.538 . . . . 61.25 106.847 -177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.1 -38.43 78.93 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.119 -0.697 . . . . 75.22 109.119 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.99 -40.56 89.59 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.531 -0.758 . . . . 75.4 112.493 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.26 83.85 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 123.385 0.428 . . . . 33.4 110.503 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.13 -33.59 75.78 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 116.007 -0.542 . . . . 74.21 111.38 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -68.64 -46.87 68.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.62 -0.882 . . . . 73.15 108.62 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.91 82.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.115 0.783 . . . . 53.4 113.115 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.99 -37.74 88.51 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 121.676 0.75 . . . . 54.14 111.093 -176.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.06 -34.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 CA-C-N 115.498 -0.774 . . . . 74.0 109.748 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.47 -15.55 35.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.341 1.237 . . . . 53.1 114.341 -175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.52 62.01 Favored Glycine 0 C--O 1.21 -1.4 0 CA-C-O 122.695 1.164 . . . . 72.3 114.447 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.03 161.55 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.696 1.369 . . . . 51.43 114.696 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.89 -29.45 66.65 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 113.785 -1.552 . . . . 73.31 112.606 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -169.42 148.13 3.76 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.087 -0.708 . . . . 74.02 109.087 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -122.13 145.39 28.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 103.526 -2.768 . . . . 73.41 103.526 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.5 154.47 21.02 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 106.325 -2.71 . . . . 62.04 106.325 172.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.93 -6.38 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.012 -1.287 . . . . 72.23 113.701 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.3 8.76 23.59 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.581 0.705 . . . . 70.11 110.614 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.78 121.69 26.24 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.423 -1.325 . . . . 70.23 107.423 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.91 147.14 43.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.692 -1.225 . . . . 73.34 107.692 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -56.76 -34.19 67.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.077 0.465 . . . . 74.24 111.786 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -76.65 -22.72 53.68 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 113.421 0.897 . . . . 54.12 113.421 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.77 -30.22 63.94 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.292 1.044 . . . . 72.22 108.27 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -77.21 -2.45 34.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.562 -1.199 . . . . 71.02 111.129 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.4 16.24 74.32 Favored Glycine 0 C--O 1.219 -0.832 0 CA-C-O 121.801 0.667 . . . . 54.12 113.651 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -64.19 135.25 39.83 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 110.969 -0.853 . . . . 73.45 110.969 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -92.72 160.99 14.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.755 -0.461 . . . . 53.42 109.755 -177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -55.59 -37.07 67.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.021 0.439 . . . . 62.32 111.137 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.9 93.03 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.116 0.484 . . . . 55.42 111.37 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA2' ' A' ' 39' ' ' GLY . 19.8 mt -69.66 -37.21 76.62 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 121.862 0.839 . . . . 65.13 109.706 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.5 85.55 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 114.51 -1.223 . . . . 51.42 108.907 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -64.86 -33.03 75.05 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 116.312 -0.403 . . . . 72.44 111.508 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -72.12 -35.24 69.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.064 -0.717 . . . . 75.22 109.064 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.66 -35.78 75.11 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.241 0.338 . . . . 54.11 111.315 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.6 mm -61.34 -47.39 93.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.112 0 CA-C-O 122.964 1.364 . . . . 74.42 108.593 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.12 79.52 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.23 -0.895 . . . . 64.33 111.607 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -68.35 -35.1 77.26 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.449 -0.341 . . . . 55.04 111.622 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.94 -42.17 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 108.786 -0.82 . . . . 64.21 108.786 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.53 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.356 -0.84 . . . . 72.21 111.147 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.82 -41.62 67.99 Favored 'General case' 0 C--O 1.199 -1.577 0 N-CA-C 113.545 0.943 . . . . 52.21 113.545 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -91.78 -26.58 18.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 115.286 1.588 . . . . 72.14 115.286 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.62 -19.06 12.21 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.089 -0.505 . . . . 65.33 110.685 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.09 20.73 79.11 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 114.973 0.749 . . . . 71.31 114.973 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.01 133.61 68.58 Favored 'Isoleucine or valine' 0 C--O 1.272 2.283 0 CA-C-O 121.76 0.791 . . . . 74.35 110.738 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.17 100.02 12.89 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.2 -1.037 . . . . 72.13 108.2 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.89 108.58 60.8 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 107.048 -1.464 . . . . 63.4 107.048 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.62 154.86 54.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.667 -1.088 . . . . 75.4 114.751 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 tp -58.81 -24.01 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 114.942 -1.026 . . . . 72.35 111.18 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.12 -43.89 91.97 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 122.153 -0.342 . . . . 62.45 111.037 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.46 -33.64 42.17 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.784 -0.189 . . . . 74.12 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.04 73.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.873 0.323 . . . . 64.43 111.873 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.54 -31.25 72.21 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.852 -0.53 . . . . 71.21 111.486 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.1 m -89.82 -7.83 53.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.958 0.408 . . . . 61.21 111.717 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -140.47 70.93 32.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.074 -0.713 . . . . 62.31 109.074 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -76.03 -14.59 18.91 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.171 1.181 . . . . 73.44 115.171 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.8 p -95.12 151.06 38.54 Favored Pre-proline 0 C--O 1.244 0.808 0 CA-C-O 119.14 -0.457 . . . . 63.22 111.141 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.99 -38.77 86.79 Favored 'Trans proline' 0 C--N 1.353 0.795 0 N-CA-C 114.29 0.842 . . . . 74.45 114.29 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.97 71.73 Favored 'General case' 0 C--O 1.263 1.763 0 CA-C-O 121.744 0.783 . . . . 74.25 112.756 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.57 49.03 Favored Glycine 0 N--CA 1.465 0.577 0 N-CA-C 111.129 -0.788 . . . . 51.03 111.129 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.24 -39.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 117.472 0.636 . . . . 61.13 109.821 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.28 94.44 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.705 -0.622 . . . . 54.53 112.643 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -75.29 -31.85 60.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.809 -0.356 . . . . 74.41 111.218 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.56 98.85 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 121.463 0.649 . . . . 75.04 110.092 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.9 tp -71.96 -33.84 68.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.674 0.79 . . . . 73.34 111.295 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -23.89 65.07 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 121.108 -0.995 . . . . 71.33 111.545 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.82 65.92 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.936 0.717 . . . . 71.13 112.936 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -63.54 -35.21 79.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.299 . . . . 75.14 111.165 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -79.57 -14.09 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.225 -0.443 . . . . 64.13 111.758 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.5 10.18 26.37 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.398 -0.593 . . . . 73.44 109.398 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -118.88 -174.3 2.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.26 -1.385 . . . . 71.23 107.26 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -75.05 -0.06 17.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.727 1.01 . . . . 73.2 113.727 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.55 138.08 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.197 -0.668 . . . . 53.52 109.197 177.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -73.09 129.27 86.52 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.931 -0.396 . . . . 61.32 109.931 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.32 172.49 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 117.478 -1.215 . . . . 54.04 110.731 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -71.26 166.06 22.34 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 121.135 0.493 . . . . 60.15 109.904 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -81.71 0.61 38.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.276 -0.875 . . . . 73.44 112.672 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 57.41 33.02 22.71 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.641 1.21 . . . . 70.14 110.614 -176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.241 0.638 0 CA-C-N 113.78 -1.554 . . . . 71.24 107.966 176.328 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 118.213 -1.326 . . . . 42.31 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.64 154.91 32.33 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 105.072 -2.195 . . . . 54.4 105.072 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -85.53 143.57 28.43 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.576 -0.898 . . . . 73.34 108.576 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.8 -18.28 41.1 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 123.625 0.578 . . . . 70.32 110.221 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -90.19 147.49 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.674 -0.491 . . . . 74.35 109.674 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.71 159.09 73.83 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 104.451 -2.425 . . . . 43.33 104.451 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.22 151.71 66.6 Favored 'Trans proline' 0 C--O 1.24 0.595 0 C-N-CA 116.865 -1.623 . . . . 75.41 112.895 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -108.76 -25.59 10.74 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.076 -0.713 . . . . 74.13 109.076 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -104.43 142.6 34.31 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.455 0.645 . . . . 73.51 110.721 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.89 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.634 0.605 . . . . 55.12 112.634 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -73.17 -29.28 62.74 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.076 0.465 . . . . 74.25 111.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.83 -31.03 70.46 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.249 -0.907 . . . . 73.14 111.619 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -67.54 -30.37 70.01 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 119.702 -0.799 . . . . 70.21 112.169 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.4 -35.47 22.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 N-CA-C 107.666 -1.235 . . . . 74.52 107.666 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.47 -41.43 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.782 -1.192 . . . . 53.11 107.782 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.57 -36.47 71.72 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 112.626 0.602 . . . . 70.12 112.626 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.83 67.7 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 115.596 -0.729 . . . . 61.25 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -34.54 78.01 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 114.465 -1.243 . . . . 72.12 111.947 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.53 -47.71 75.0 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.421 -1.325 . . . . 75.44 107.421 175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.13 88.28 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.309 0.855 . . . . 72.1 113.309 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.82 -44.59 96.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.212 0.53 . . . . 61.45 110.76 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.6 mt -74.78 -38.46 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.311 -0.858 . . . . 70.21 110.186 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.69 -18.86 33.93 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 113.02 0.748 . . . . 74.44 113.02 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 39.22 55.33 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.589 -0.339 . . . . 44.23 113.091 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.73 157.62 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 114.146 1.165 . . . . 71.34 114.146 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.64 -30.51 69.23 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.597 -1.183 . . . . 65.23 112.598 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -162.19 152.67 17.14 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 122.308 -0.245 . . . . 74.32 110.539 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.82 141.86 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 105.169 -2.16 . . . . 65.12 105.169 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 159.71 20.13 Favored Glycine 0 C--O 1.22 -0.775 0 N-CA-C 108.063 -2.015 . . . . 75.51 108.063 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 m -72.8 -6.89 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.309 -1.112 . . . . 73.31 112.848 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.32 -7.24 21.24 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 123.911 0.757 . . . . 74.21 111.392 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -75.87 120.72 21.6 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.508 -1.664 . . . . 74.24 106.508 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.54 150.36 39.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.556 -1.276 . . . . 73.11 107.556 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -55.95 -35.76 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.232 0.539 . . . . 75.14 111.221 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -85.77 -17.54 35.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.321 1.23 . . . . 63.13 114.321 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.5 -30.24 64.33 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.12 -1.437 . . . . 70.41 107.12 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.69 -2.46 26.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 73.04 112.353 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.58 17.09 50.55 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.418 -0.42 . . . . 52.3 113.426 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.49 167.8 27.81 Favored Glycine 0 CA--C 1.521 0.421 0 O-C-N 121.774 -0.839 . . . . 63.34 112.822 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -130.68 165.09 23.6 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.711 -0.876 . . . . 74.25 110.774 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -55.02 -49.48 71.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.412 0.523 . . . . 70.44 112.412 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.7 84.4 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.343 0.592 . . . . 71.25 110.831 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.17 -38.81 82.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.87 -0.604 . . . . 74.42 109.726 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -31.16 72.26 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 120.861 0.362 . . . . 74.25 111.213 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.51 -38.61 68.05 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.443 -0.785 . . . . 73.52 110.262 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -71.75 -29.55 64.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.716 -0.22 . . . . 72.23 110.933 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.2 tp -56.22 -43.83 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.896 -0.409 . . . . 65.45 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.37 -42.72 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.107 0.48 . . . . 63.22 110.57 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.012 0.434 . . . . 65.41 111.365 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -63.79 -43.87 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 65.52 110.489 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.87 -39.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.334 -0.617 . . . . 75.31 109.334 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -63.74 -43.76 95.52 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 122.127 -0.358 . . . . 73.14 110.387 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.84 -35.35 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.528 -0.733 . . . . 61.34 111.709 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -88.41 -42.3 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 114.346 1.239 . . . . 64.52 114.346 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.28 -9.64 13.87 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.499 1.296 . . . . 72.04 114.499 -172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.32 79.57 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 117.071 1.588 . . . . 74.35 117.071 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -123.73 147.54 28.09 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 121.948 0.88 . . . . 73.04 110.638 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.55 152.83 28.39 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.666 -0.697 . . . . 74.21 110.001 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.57 129.38 7.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.866 -0.606 . . . . 64.54 110.295 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.81 153.55 42.87 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 114.878 -2.948 . . . . 73.3 112.036 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.19 -23.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 116.42 -0.355 . . . . 73.14 111.512 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.79 -36.91 84.65 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 121.8 -0.562 . . . . 73.11 111.017 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.95 -35.8 62.12 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 109.305 -0.628 . . . . 62.22 109.305 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -33.97 74.34 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.139 0.176 . . . . 62.31 111.034 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -65.22 -30.05 70.91 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.52 -0.472 . . . . 73.43 111.541 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -8.61 50.4 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 121.935 -0.478 . . . . 64.53 111.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 m -134.39 62.28 54.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 C-N-CA 123.415 0.686 . . . . 43.21 111.157 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.25 -12.61 14.17 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 N-CA-C 116.559 1.715 . . . . 63.03 116.559 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 p -103.08 162.75 19.14 Favored Pre-proline 0 C--O 1.242 0.66 0 N-CA-C 109.107 -0.701 . . . . 74.11 109.107 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -56.17 -39.14 93.12 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 116.457 -1.896 . . . . 65.03 114.225 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.29 82.99 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 122.933 1.349 . . . . 54.13 111.751 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.37 -46.86 92.99 Favored Glycine 0 N--CA 1.449 -0.461 0 O-C-N 121.33 -0.856 . . . . 72.5 112.644 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.89 -34.37 69.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.888 -0.782 . . . . 64.21 108.888 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.01 88.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.877 0.695 . . . . 61.42 112.877 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -66.9 -31.05 71.39 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.816 0.734 . . . . 73.53 110.093 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.8 79.64 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 121.108 0.48 . . . . 74.31 110.44 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.11 -40.76 96.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.057 -0.72 . . . . 61.3 109.057 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.97 92.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.499 -0.556 . . . . 72.43 109.499 178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.81 90.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 122.011 -0.431 . . . . 73.45 111.584 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -62.49 -39.73 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.395 -0.82 . . . . 73.11 110.531 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.2 m -74.87 -20.92 59.53 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.587 -0.733 . . . . 73.4 112.627 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 6.01 43.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.554 0.692 . . . . 54.02 111.555 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -81.0 153.32 27.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.078 0.466 . . . . 73.15 110.51 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -61.71 -29.07 69.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.148 0.499 . . . . 71.44 111.145 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -80.76 104.07 11.03 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.111 -1.44 . . . . 75.2 107.111 172.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -59.62 150.29 67.24 Favored Pre-proline 0 C--O 1.251 1.164 0 N-CA-C 109.235 -0.654 . . . . 72.21 109.235 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.9 169.38 16.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.227 -1.382 . . . . 63.24 109.652 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.48 148.7 41.06 Favored 'General case' 0 C--O 1.198 -1.64 0 CA-C-O 121.816 0.817 . . . . 73.54 110.985 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.44 -27.97 22.39 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.289 -1.323 . . . . 74.43 107.447 171.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.17 179.49 7.34 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.128 -1.434 . . . . 71.13 107.128 172.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 118.873 0.761 . . . . 75.31 111.831 174.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 CA-C-O 118.204 -1.331 . . . . 72.44 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.45 -29.95 70.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.566 1.183 . . . . 64.33 110.124 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.4 mtm -135.19 172.56 12.84 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.451 -1.685 . . . . 74.14 106.451 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.82 161.03 29.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.71 -1.218 . . . . 42.13 107.71 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -62.04 -43.42 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.809 0.67 . . . . 63.32 112.809 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.91 156.8 0.13 Allowed Pre-proline 0 CA--C 1.554 1.116 0 O-C-N 124.873 1.358 . . . . 71.12 112.346 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.52 -16.97 21.24 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 CA-C-O 122.332 0.888 . . . . 63.34 112.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -92.55 41.57 1.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.753 -1.112 . . . . 41.41 113.621 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -69.84 154.81 41.47 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 118.802 -1.159 . . . . 73.55 108.83 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.31 74.11 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 116.384 1.994 . . . . 72.31 116.384 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -32.07 65.81 Favored 'General case' 0 C--O 1.183 -2.444 0 CA-C-N 119.464 1.029 . . . . 73.15 111.236 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 15' ' ' LEU . 62.7 mt-10 -63.47 -32.0 73.32 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 121.572 -0.705 . . . . 75.04 112.192 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -68.55 -30.06 68.76 Favored 'General case' 0 CA--C 1.498 -1.021 0 C-N-CA 118.923 -1.111 . . . . 72.41 112.376 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 m -73.72 -37.61 49.41 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.573 0 N-CA-C 104.64 -2.356 . . . . 71.33 104.64 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 12' ' ' GLU . 19.3 mt -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.545 -0.539 . . . . 71.33 109.545 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.74 -32.95 73.22 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 122.841 1.305 . . . . 73.11 111.281 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.72 68.12 Favored 'General case' 1 C--O 1.148 -4.289 0 CA-C-O 126.711 3.148 . . . . 63.52 114.643 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.62 -28.35 67.67 Favored 'General case' 1 N--CA 1.341 -5.924 0 CA-C-N 108.976 -3.738 . . . . 70.14 111.408 -174.35 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -69.08 -46.91 66.63 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 117.442 -3.286 . . . . 72.5 107.424 170.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.07 85.71 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.137 0.791 . . . . 73.41 113.137 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -58.98 -41.19 86.96 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.813 0.816 . . . . 71.43 111.182 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.52 -38.66 15.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 CA-C-N 115.208 -0.905 . . . . 71.15 111.699 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.84 -22.67 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.436 0.532 . . . . 70.42 112.436 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.34 32.46 42.88 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.135 -0.555 . . . . 42.11 113.157 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m -101.3 162.66 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 114.194 1.183 . . . . 71.12 114.194 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -75.27 -28.26 59.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.291 -1.322 . . . . 73.33 111.992 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -156.56 141.47 17.11 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.39 0.515 . . . . 65.5 112.39 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.96 131.33 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 106.658 -1.608 . . . . 71.14 106.658 171.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 157.07 24.19 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 107.515 -2.234 . . . . 35.21 107.515 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -68.38 -16.33 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 113.931 1.086 . . . . 70.15 113.931 -172.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.55 17.19 18.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.172 0.511 . . . . 64.44 111.644 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.39 120.76 23.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.055 -2.202 . . . . 71.22 105.055 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.83 144.74 47.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.8 -1.185 . . . . 64.25 107.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -56.19 -33.0 64.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.449 0.643 . . . . 64.21 109.322 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -76.72 -29.63 56.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.777 1.029 . . . . 74.51 113.777 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.89 -30.31 67.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.205 1.002 . . . . 70.22 108.836 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.2 mt -74.81 -2.12 25.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.599 -1.182 . . . . 70.5 111.913 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.53 67.9 Favored Glycine 0 CA--C 1.519 0.295 0 O-C-N 122.051 -0.405 . . . . 63.44 112.924 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.47 140.68 41.4 Favored Glycine 0 C--O 1.236 0.273 0 C-N-CA 120.796 -0.716 . . . . 73.1 112.514 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -111.13 166.99 10.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.282 -0.636 . . . . 72.11 109.282 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -36.19 68.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 113.727 1.01 . . . . 75.41 113.727 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.56 95.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.016 0.436 . . . . 74.12 110.348 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.06 -34.32 71.1 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.125 -0.694 . . . . 33.34 109.125 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.62 78.56 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 123.085 0.241 . . . . 70.41 111.391 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.78 -34.09 73.28 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.713 -0.617 . . . . 72.14 110.229 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -67.79 -31.53 71.47 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.694 -0.484 . . . . 63.41 109.694 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.88 -41.73 96.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.649 -0.25 . . . . 64.5 110.59 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.49 -46.38 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.974 -0.75 . . . . 71.53 108.974 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.61 80.98 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.885 -0.598 . . . . 73.21 112.192 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.28 -40.49 86.13 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.952 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.38 -39.13 84.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.949 -1.13 . . . . 72.53 107.949 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -34.93 76.31 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 119.456 -0.898 . . . . 62.52 111.971 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -67.56 -42.8 82.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.721 0.296 . . . . 65.41 110.901 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -84.2 -40.97 17.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.212 1.19 . . . . 54.21 114.212 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.63 -11.21 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.316 0.858 . . . . 71.32 113.316 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.66 80.24 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.749 -0.738 . . . . 23.43 114.145 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -116.31 136.81 52.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 O-C-N 122.292 -0.534 . . . . 64.2 111.985 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -92.84 148.61 21.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.14 -0.689 . . . . 64.41 109.14 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -142.21 108.8 5.8 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.105 -1.072 . . . . 75.31 108.105 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.31 148.93 75.06 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 114.266 -3.356 . . . . 64.31 111.381 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.52 -22.83 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.425 0.631 . . . . 71.05 110.877 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -60.93 -39.07 88.01 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.038 -0.528 . . . . 75.41 111.59 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -27.94 42.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.464 -0.335 . . . . 74.21 110.934 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.53 -34.61 78.66 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.73 -0.214 . . . . 54.21 111.011 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.92 -35.21 77.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.324 0.583 . . . . 65.2 110.872 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -84.5 -5.98 59.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.828 -0.624 . . . . 73.23 111.761 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -148.02 68.57 10.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 C-N-CA 122.978 0.511 . . . . 74.52 110.763 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.56 -16.54 18.95 Favored 'Trans proline' 0 C--N 1.347 0.478 0 N-CA-C 114.585 0.956 . . . . 71.45 114.585 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 p -93.56 152.79 41.16 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 109.025 -0.731 . . . . 42.54 109.025 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.29 -45.13 31.4 Favored 'Trans proline' 0 CA--C 1.493 -1.561 0 N-CA-C 115.246 1.21 . . . . 62.13 115.246 173.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -67.41 -23.63 65.57 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.247 -0.981 . . . . 75.11 109.347 -169.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.69 -45.79 16.39 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.395 -0.821 . . . . 35.02 112.652 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -33.53 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 O-C-N 121.005 -1.291 . . . . 75.21 110.7 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.09 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.264 1.209 . . . . 64.22 114.264 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -73.01 -31.68 64.64 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.48 -0.933 . . . . 74.13 108.48 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.99 86.96 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 122.992 0.183 . . . . 71.04 110.76 174.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.87 -47.15 86.92 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.607 -0.886 . . . . 74.01 108.607 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.74 88.61 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.994 -0.548 . . . . 74.23 111.021 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.571 -0.159 . . . . 41.21 110.571 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -37.4 80.46 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.019 -0.672 . . . . 51.4 109.999 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 t -64.12 -22.68 67.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.69 0.255 . . . . 62.43 111.69 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -1.56 48.51 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.15 0.796 . . . . 71.45 113.15 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 t -145.36 147.1 31.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.796 1.035 . . . . 63.2 113.796 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -75.11 -23.44 57.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.317 -0.856 . . . . 74.33 109.04 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 t -78.77 134.71 37.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.349 0.595 . . . . 61.12 110.235 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -90.58 149.8 41.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.778 -0.646 . . . . 65.54 109.607 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.43 -2.81 12.56 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 N-CA-C 114.789 1.034 . . . . 54.15 114.789 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.54 159.26 15.6 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.376 -0.602 . . . . 73.41 109.376 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -89.23 -28.19 20.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.065 -1.087 . . . . 70.12 108.065 168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.12 160.98 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 75.21 110.328 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--O 1.243 0.763 0 N-CA-C 104.978 -2.23 . . . . 65.32 104.978 179.051 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 CA-C-O 119.267 -0.741 . . . . 70.21 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 -45.6 14.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 117.909 0.854 . . . . 55.14 111.142 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.6 mmt -79.84 -23.18 42.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.027 0.751 . . . . 54.4 113.027 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.38 29.81 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.626 -1.25 . . . . 32.2 107.626 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -134.95 133.45 39.56 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.196 -1.039 . . . . 75.13 108.196 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.29 -45.1 0.58 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.829 0.705 . . . . 55.21 111.607 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.9 152.9 41.85 Favored 'Trans proline' 0 C--N 1.363 1.291 0 C-N-CA 113.665 -3.757 . . . . 73.05 114.278 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -97.18 -60.87 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.458 -0.792 . . . . 75.51 109.122 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -82.71 146.1 29.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.844 -0.799 . . . . 74.51 108.844 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.0 93.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.221 0.452 . . . . 63.34 112.221 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -25.17 62.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.469 0.914 . . . . 70.11 113.469 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -57.49 -29.82 64.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.888 -0.508 . . . . 73.01 110.778 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -64.58 -33.29 75.57 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 120.012 -0.675 . . . . 72.51 112.781 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.1 -35.63 29.16 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 106.058 -1.83 . . . . 73.11 106.058 -174.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -72.05 -40.56 68.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 64.01 109.791 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.95 -36.72 80.1 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 119.701 -0.8 . . . . 73.4 110.152 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.28 -41.86 76.27 Favored 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 118.501 -1.28 . . . . 75.23 113.376 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -35.79 81.75 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.498 -2.137 . . . . 73.02 111.45 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.83 -49.11 69.38 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.336 -0.852 . . . . 74.43 109.029 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -62.83 -37.71 87.88 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 112.307 0.484 . . . . 53.13 112.307 -177.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.829 0.347 . . . . 70.02 111.512 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -79.74 -41.77 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 122.348 -0.22 . . . . 34.1 111.129 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.31 -18.47 42.14 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.511 0.559 . . . . 72.4 112.511 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.14 32.98 50.97 Favored Glycine 0 CA--C 1.499 -0.925 0 N-CA-C 114.795 0.678 . . . . 74.3 114.795 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 20' ' ' ALA . 35.8 m -103.12 163.96 3.51 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-O 123.959 1.838 . . . . 54.43 112.407 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -85.13 -20.13 30.76 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.597 -1.638 . . . . 65.22 110.531 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -154.24 139.47 17.53 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 123.084 0.24 . . . . 61.05 111.534 -174.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -131.98 125.31 54.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 105.334 -2.098 . . . . 65.11 105.334 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -78.75 160.72 47.25 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 107.725 -2.15 . . . . 65.15 107.725 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.1 p -75.26 -11.51 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 CA-C-O 122.229 1.014 . . . . 62.4 109.179 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -111.73 2.51 17.22 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 113.573 -1.649 . . . . 75.05 111.656 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 28.3 m-20 -76.46 125.79 29.84 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.379 -1.341 . . . . 73.24 107.379 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.76 146.29 33.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 106.717 -1.586 . . . . 63.51 106.717 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.21 -35.08 64.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.024 0.44 . . . . 71.55 110.568 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -76.2 -22.45 55.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.834 1.049 . . . . 72.43 113.834 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -74.73 -27.66 60.45 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.11 -1.07 . . . . 74.3 108.11 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.32 7.0 5.77 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.894 -1.048 . . . . 64.52 111.469 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.28 7.44 76.6 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-O 121.883 0.713 . . . . 63.11 111.77 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.13 159.94 53.89 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-O 122.228 0.904 . . . . 50.21 113.394 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -128.43 169.8 13.88 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.536 -0.913 . . . . 35.1 108.536 -174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -62.28 -30.82 71.4 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.838 0.828 . . . . 72.34 109.328 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.94 79.55 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.806 -0.559 . . . . 71.21 112.274 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.55 -29.49 64.8 Favored 'General case' 0 C--O 1.197 -1.694 0 N-CA-C 109.068 -0.716 . . . . 72.3 109.068 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.74 73.4 Favored 'General case' 0 C--O 1.181 -2.551 0 CA-C-O 118.975 -0.536 . . . . 64.35 109.69 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.88 -34.97 78.96 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 108.442 -0.947 . . . . 64.13 108.442 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -69.71 -32.94 71.8 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.597 -0.69 . . . . 75.24 109.74 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.72 -42.13 92.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.341 -0.391 . . . . 73.51 111.094 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -60.93 -46.78 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.103 -0.703 . . . . 75.14 109.103 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.17 99.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.402 0.62 . . . . 63.31 112.272 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -69.66 -38.13 76.98 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 116.049 -0.523 . . . . 72.01 111.135 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.08 -40.67 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.397 -0.964 . . . . 63.4 108.397 174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.22 -28.95 64.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.008 1.114 . . . . 74.31 114.008 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.86 -43.25 96.66 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.528 -0.916 . . . . 73.24 108.528 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -84.65 -38.25 20.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.626 1.343 . . . . 74.33 114.626 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.47 -16.89 12.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.446 1.276 . . . . 65.24 114.446 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.87 25.44 75.56 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-O 118.796 -1.002 . . . . 61.13 113.963 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.73 156.43 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 124.405 2.05 . . . . 75.2 106.484 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -127.83 144.46 51.09 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.21 -1.556 . . . . 71.55 109.075 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tp -144.0 123.56 7.37 Favored Pre-proline 0 C--N 1.316 -0.862 0 N-CA-C 107.254 -1.387 . . . . 74.42 107.254 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.65 150.86 63.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 116.172 -2.085 . . . . 73.31 112.813 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.3 -30.4 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 113.298 0.851 . . . . 75.1 113.298 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.01 -30.18 70.68 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.691 -0.631 . . . . 74.45 112.251 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -79.17 -36.44 40.33 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.105 -1.072 . . . . 75.4 108.105 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -32.09 69.79 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 112.281 0.474 . . . . 52.5 112.281 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -64.92 -28.57 69.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.508 0.559 . . . . 74.15 112.508 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m -90.11 -15.69 31.13 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.856 0.36 . . . . 72.15 110.859 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -128.36 63.15 62.57 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.741 . . . . 62.23 109.967 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.9 -16.46 20.47 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 115.735 -2.377 . . . . 74.12 114.468 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.9 p -87.01 155.69 55.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.92 -0.77 . . . . 70.34 108.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.22 -36.6 45.66 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 N-CA-C 114.168 0.795 . . . . 73.4 114.168 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.76 77.34 Favored 'General case' 0 C--O 1.259 1.563 0 CA-C-O 122.514 1.15 . . . . 33.31 112.769 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.36 -44.74 92.92 Favored Glycine 0 C--N 1.345 1.064 0 O-C-N 121.025 -1.047 . . . . 65.01 111.678 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.35 -42.69 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 117.196 0.498 . . . . 74.04 110.44 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.73 88.87 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 114.189 1.181 . . . . 50.43 114.189 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -70.23 -29.67 66.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.965 0.412 . . . . 70.53 111.442 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.51 79.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.432 -0.349 . . . . 73.21 110.08 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -39.16 86.59 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.818 -0.438 . . . . 75.43 109.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.16 83.05 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 117.746 0.248 . . . . 53.23 110.408 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -26.3 66.56 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.922 0.391 . . . . 64.01 111.769 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -87.81 -15.77 35.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.902 0.704 . . . . 45.31 112.902 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -73.64 -24.07 59.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.196 0.522 . . . . 64.0 109.632 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 140.52 56.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.877 -0.786 . . . . 73.33 108.877 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.5 m -140.06 176.8 8.45 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.533 -1.284 . . . . 71.52 107.533 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -73.84 -16.46 61.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.549 0.69 . . . . 72.41 109.893 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 152.06 46.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.373 -0.973 . . . . 65.11 108.373 176.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 149.82 89.23 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 109.383 -0.599 . . . . 72.45 109.383 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.8 173.18 14.47 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 117.405 -1.263 . . . . 45.12 111.355 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -127.98 165.74 19.69 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.063 -2.199 . . . . 64.33 105.063 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -82.05 154.53 25.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 109.474 -0.565 . . . . 75.15 109.474 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -122.56 169.62 10.83 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 106.836 -1.542 . . . . 70.51 106.836 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.598 -1.192 . . . . 75.31 111.811 -175.092 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 CA-C-O 119.051 -0.861 . . . . 73.51 111.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.35 -14.25 58.5 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.262 0.838 . . . . 55.01 113.262 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -130.42 166.92 19.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.644 -0.873 . . . . 74.44 108.644 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.84 150.1 50.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.909 -1.885 . . . . 74.03 105.909 174.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.42 161.35 36.55 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.203 -1.036 . . . . 73.12 108.203 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.87 158.47 70.4 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.413 -1.699 . . . . 75.01 106.413 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -66.63 132.99 30.43 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 117.618 -1.121 . . . . 74.15 111.312 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -80.9 -50.59 9.57 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.927 -1.138 . . . . 74.21 107.927 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.4 p -100.89 156.6 17.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.83 0.824 . . . . 64.03 111.106 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -31.05 71.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.983 0.734 . . . . 53.11 112.983 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -68.78 -25.94 64.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.001 -0.437 . . . . 64.31 111.32 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 45.3 mt-10 -61.87 -31.57 71.85 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.998 -1.064 . . . . 65.32 110.652 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -69.01 -30.68 69.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 112.148 0.425 . . . . 71.44 112.148 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -34.38 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.249 -1.019 . . . . 74.51 108.249 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.15 -44.49 68.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.224 -0.658 . . . . 73.05 109.224 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 t -49.56 -42.71 44.96 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 113.972 1.101 . . . . 73.42 113.972 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.8 81.79 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-O 122.989 1.376 . . . . 71.04 113.405 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -34.4 78.32 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.223 -1.808 . . . . 72.34 111.268 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.97 -46.58 77.53 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.436 -0.95 . . . . 71.34 108.436 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.31 83.68 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 112.666 0.617 . . . . 62.52 112.666 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -60.78 -40.48 92.71 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.433 0.635 . . . . 73.11 111.384 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.84 -41.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 108.92 -0.77 . . . . 74.14 108.92 -174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 -17.25 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.843 0.683 . . . . 52.25 112.843 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.99 30.18 61.66 Favored Glycine 0 N--CA 1.45 -0.432 0 O-C-N 120.973 -1.079 . . . . 73.14 113.842 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.21 159.44 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 122.14 0.971 . . . . 64.21 112.691 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.6 -34.73 77.59 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.543 -1.208 . . . . 72.44 110.456 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.98 152.84 21.49 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 120.793 0.33 . . . . 73.31 111.333 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.9 t -126.5 132.67 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 106.018 -1.845 . . . . 70.1 106.018 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.66 151.13 26.13 Favored Glycine 0 C--O 1.211 -1.312 0 N-CA-C 107.027 -2.429 . . . . 51.13 107.027 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.32 -4.26 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.201 -1.176 . . . . 74.34 112.166 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -107.16 -1.86 21.49 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.721 0.808 . . . . 63.42 111.36 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.5 120.11 24.06 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.61 -0.885 . . . . 72.42 108.61 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 150.11 38.58 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.895 -0.722 . . . . 64.24 109.804 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.23 -27.29 65.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.235 0.54 . . . . 74.15 110.171 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -73.75 -42.17 61.46 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.523 -0.762 . . . . 73.13 112.043 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.96 -32.25 73.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.931 0.872 . . . . 73.4 109.761 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.27 -6.94 50.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.642 -1.163 . . . . 70.23 112.714 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.45 26.85 50.11 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 114.99 0.756 . . . . 30.2 114.99 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.79 171.8 55.17 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 121.794 -0.827 . . . . 44.34 112.753 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 m -127.99 161.99 27.85 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.048 -0.723 . . . . 61.51 109.048 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -57.07 -34.91 68.76 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.019 0.748 . . . . 72.52 113.019 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.09 96.82 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.315 -0.402 . . . . 54.51 109.944 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.31 -37.64 80.81 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.375 -0.602 . . . . 72.42 109.375 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.09 76.78 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.059 0.392 . . . . 63.53 112.059 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.8 mmm -72.21 -32.59 66.91 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.91 -0.404 . . . . 72.22 109.91 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -70.86 -33.3 70.48 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.054 -0.35 . . . . 75.02 110.054 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.36 -41.52 84.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.732 -0.667 . . . . 60.12 109.842 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.54 -44.86 99.73 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 N-CA-C 108.57 -0.9 . . . . 72.2 108.57 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.69 92.18 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.608 0.596 . . . . 64.45 112.608 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -66.08 -45.71 80.3 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 108.893 -0.78 . . . . 75.42 108.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.25 -39.19 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.957 -0.757 . . . . 70.44 108.957 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -39.6 94.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.811 -0.556 . . . . 61.33 111.607 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.39 -39.76 77.79 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.929 0.715 . . . . 64.32 112.929 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -81.77 -43.98 17.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 114.004 1.113 . . . . 75.34 114.004 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.13 -13.91 14.83 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.975 1.102 . . . . 64.15 113.975 -174.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.17 74.02 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.949 -0.643 . . . . 71.31 114.507 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.95 148.89 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 117.887 0.844 . . . . 60.12 108.777 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -125.27 148.83 48.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.687 -0.633 . . . . 74.43 109.609 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.47 130.02 7.78 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.964 -0.754 . . . . 74.15 108.964 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.55 151.99 64.94 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 114.933 -2.911 . . . . 44.23 112.765 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.3 tp -57.01 -24.51 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.453 0.701 . . . . 74.54 112.043 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -66.07 -35.37 80.35 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.77 0.655 . . . . 74.44 112.77 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -77.95 -30.41 50.38 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.308 -0.557 . . . . 72.43 110.162 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -36.81 85.15 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.394 -0.366 . . . . 73.32 110.272 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.55 -19.79 62.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.993 -0.683 . . . . 65.43 112.713 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -91.44 -2.38 57.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 71.4 111.124 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.9 m -154.43 69.59 6.01 Favored Pre-proline 0 C--N 1.318 -0.763 0 C-N-CA 123.253 0.621 . . . . 72.13 109.63 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.59 -9.0 17.25 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 117.237 1.976 . . . . 63.53 117.237 -173.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -95.09 153.1 39.85 Favored Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 109.055 -0.721 . . . . 64.45 109.055 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.57 -41.82 65.92 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 117.225 -1.384 . . . . 73.44 114.886 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -65.52 -30.03 70.74 Favored 'General case' 0 N--CA 1.404 -2.746 0 CA-C-O 123.855 1.788 . . . . 54.31 111.94 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.52 -41.11 66.82 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 113.783 -1.553 . . . . 61.33 111.56 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.36 -39.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 117.641 0.72 . . . . 60.44 109.327 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.2 88.49 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 113.461 0.912 . . . . 50.24 113.461 -175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -30.18 69.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.328 -0.858 . . . . 72.23 112.472 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.83 -44.73 61.08 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.422 0.63 . . . . 53.44 109.309 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.23 -33.89 75.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.805 0.842 . . . . 53.11 110.675 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.2 -22.75 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.303 0.641 . . . . 52.22 112.096 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.92 77.09 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.229 -0.919 . . . . 72.53 110.336 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.66 -29.58 45.81 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.485 -0.561 . . . . 74.33 109.485 177.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 t -64.42 -41.83 96.38 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.525 -0.47 . . . . 55.31 109.986 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.24 62.05 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.665 0.745 . . . . 62.43 112.165 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -81.93 140.54 33.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.574 -0.739 . . . . 64.05 109.89 -178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.95 145.33 46.42 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.533 -0.543 . . . . 72.25 109.533 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.2 m -97.74 154.02 17.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.664 -0.243 . . . . 65.52 110.639 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -72.54 149.99 91.16 Favored Pre-proline 0 N--CA 1.455 -0.2 0 N-CA-C 104.514 -2.402 . . . . 74.23 104.514 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.38 143.04 56.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 114.772 -3.019 . . . . 72.11 113.963 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -156.77 175.78 13.61 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 104.903 -2.258 . . . . 70.34 104.903 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -77.33 159.24 29.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.382 -0.229 . . . . 72.3 110.382 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.31 143.16 53.89 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.991 -1.114 . . . . 63.53 107.991 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.255 1.39 0 CA-C-O 117.534 -1.222 . . . . 63.55 112.694 -173.058 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 CA-C-O 118.903 -0.943 . . . . 61.3 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.75 146.23 54.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 117.885 0.842 . . . . 62.51 111.058 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -82.57 -12.86 57.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.905 0.705 . . . . 71.34 112.905 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.34 141.99 58.56 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.387 -0.597 . . . . 52.31 109.387 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -84.9 -50.9 7.13 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.996 -0.282 . . . . 72.5 110.916 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.78 160.86 17.35 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 104.705 -2.331 . . . . 55.25 104.705 -175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -74.01 168.81 23.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 O-C-N 122.722 0.854 . . . . 53.24 111.443 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -88.65 -55.72 3.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.976 -0.379 . . . . 75.42 109.976 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -92.92 155.89 17.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.216 1.008 . . . . 73.13 112.023 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.84 85.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.168 0.803 . . . . 64.22 113.168 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -28.1 63.56 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.682 -0.636 . . . . 61.12 111.836 -176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -61.96 -31.52 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.749 -0.463 . . . . 74.44 109.749 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -68.48 -31.96 71.61 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 119.91 -0.716 . . . . 44.43 112.226 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -36.11 38.07 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 N-CA-C 106.955 -1.498 . . . . 72.22 106.955 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.1 -45.47 66.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.612 -0.267 . . . . 75.14 111.178 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -56.33 -38.49 71.4 Favored 'General case' 0 C--O 1.251 1.133 0 C-N-CA 120.82 -0.352 . . . . 73.21 110.974 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.07 75.05 Favored 'General case' 0 C--O 1.187 -2.214 0 C-N-CA 118.528 -1.269 . . . . 72.01 112.8 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -33.63 75.28 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.69 -1.141 . . . . 65.21 111.232 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.76 -47.77 57.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.653 -1.239 . . . . 75.1 107.653 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.55 87.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.135 1.161 . . . . 44.33 114.135 -175.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.22 -37.41 82.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.685 0.755 . . . . 62.04 110.797 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.1 mt -82.93 -37.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.13 112.219 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.91 -15.39 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.346 0.499 . . . . 75.1 112.346 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.07 62.6 Favored Glycine 0 CA--C 1.507 -0.465 0 C-N-CA 120.762 -0.732 . . . . 72.04 113.274 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.8 m -109.06 159.7 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 123.26 1.505 . . . . 73.13 113.288 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -68.54 -29.88 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.039 -1.891 . . . . 53.51 111.31 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -167.19 150.5 6.43 Favored 'General case' 0 C--O 1.22 -0.46 0 O-C-N 122.106 -0.371 . . . . 72.23 110.356 -172.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -127.68 132.98 68.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 105.49 -2.041 . . . . 71.53 105.49 173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.47 156.96 29.74 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 108.125 -1.99 . . . . 75.41 108.125 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 113.902 1.075 . . . . 64.33 113.902 -176.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -109.41 7.79 25.1 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 123.466 0.479 . . . . 60.43 111.974 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -80.94 120.82 25.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.513 -1.662 . . . . 74.41 106.513 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.95 40.76 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.622 -0.881 . . . . 72.12 108.622 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.4 -29.88 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.566 0.698 . . . . 73.22 109.597 174.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -76.06 -34.89 59.61 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 113.484 0.92 . . . . 75.43 113.484 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -68.25 -30.17 69.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.317 1.056 . . . . 55.11 109.572 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.58 -3.16 36.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.545 -1.207 . . . . 74.54 111.86 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.04 58.69 Favored Glycine 0 C--O 1.236 0.219 0 CA-C-O 121.762 0.645 . . . . 62.34 113.384 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.34 52.96 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 121.953 -0.734 . . . . 73.23 113.107 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.8 m -118.42 162.14 18.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.649 -0.276 . . . . 53.34 110.478 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -59.71 -35.75 75.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.468 0.544 . . . . 64.23 112.468 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.786 0.327 . . . . 74.4 110.182 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.36 -31.17 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.908 -0.405 . . . . 64.34 109.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.46 89.81 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 121.66 0.743 . . . . 74.01 109.92 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 93.3 mtp -61.17 -33.43 73.43 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.79 -0.569 . . . . 63.22 110.885 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -72.71 -37.53 67.78 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.913 -0.773 . . . . 74.13 108.913 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.21 -43.55 87.71 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 123.358 0.411 . . . . 74.41 110.567 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.95 -42.58 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.642 0.258 . . . . 74.13 110.335 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.91 92.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.976 0.417 . . . . 34.03 111.39 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -69.98 -36.6 75.31 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.104 0.478 . . . . 72.42 110.662 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.25 -40.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.132 -0.692 . . . . 75.1 109.132 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -31.74 73.12 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.67 -0.644 . . . . 53.21 110.841 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.39 -48.07 24.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 111.954 0.353 . . . . 72.33 111.954 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -83.37 -31.88 26.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 115.696 1.739 . . . . 70.34 115.696 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.08 -15.82 13.62 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.918 0.71 . . . . 41.12 112.918 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.35 28.71 67.39 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.091 -0.576 . . . . 75.3 114.322 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.56 139.26 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.797 0.799 . . . . 60.1 110.208 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.35 84.38 4.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.768 . . . . 71.32 110.48 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -78.51 123.61 85.57 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.946 -0.471 . . . . 73.52 110.725 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -74.34 152.15 43.92 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 116.19 -2.074 . . . . 74.51 113.864 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.13 -35.67 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.727 0.775 . . . . 72.44 111.101 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -64.47 -30.54 71.58 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 113.323 0.86 . . . . 65.21 113.323 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.05 -31.36 61.27 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.343 -0.543 . . . . 71.54 110.371 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -34.8 79.05 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-O 120.681 0.277 . . . . 64.55 111.022 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -74.99 -21.67 59.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.497 0.554 . . . . 72.4 112.497 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.7 m -88.61 -12.57 42.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 70.42 110.311 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -150.69 71.49 8.89 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.612 -0.722 . . . . 63.31 110.012 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.3 -12.35 17.25 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 N-CA-C 115.733 1.397 . . . . 72.45 115.733 -173.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.4 p -89.36 149.11 42.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.53 0.332 . . . . 72.33 110.282 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.3 -39.05 88.54 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 117.265 -1.357 . . . . 74.25 114.356 177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.69 77.8 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 121.424 -0.798 . . . . 61.52 112.367 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.98 59.36 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.7 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.48 -33.44 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 O-C-N 122.184 -0.598 . . . . 44.01 109.75 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.92 -38.17 72.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.877 1.066 . . . . 51.25 113.877 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -72.34 -23.69 61.18 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 119.797 -0.761 . . . . 70.0 112.517 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.14 74.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.9 -0.778 . . . . 73.22 108.9 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -22.93 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.62 -0.718 . . . . 62.04 111.424 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.39 -25.61 50.4 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.881 0.697 . . . . 73.32 112.881 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.19 79.75 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.721 0.296 . . . . 74.15 110.901 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -69.75 -28.3 65.66 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.21 0.528 . . . . 72.32 110.19 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 t -84.06 -9.13 58.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 62.01 111.849 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.8 31.66 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.297 1.039 . . . . 61.12 113.253 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.8 p -89.44 164.59 14.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.403 -0.591 . . . . 75.41 109.403 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -77.11 164.28 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.826 -0.546 . . . . 72.42 110.317 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -78.61 142.62 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.352 -0.61 . . . . 61.54 109.352 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -64.93 152.36 91.08 Favored Pre-proline 0 C--O 1.244 0.774 0 N-CA-C 108.794 -0.817 . . . . 72.3 108.794 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.21 153.52 56.68 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 116.405 -1.93 . . . . 65.13 111.625 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -151.6 155.49 38.53 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 106.62 -1.622 . . . . 64.32 106.62 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -97.79 -28.6 13.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.796 0.808 . . . . 60.2 112.018 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -122.19 160.06 25.96 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.542 -1.281 . . . . 73.22 107.542 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 116.499 -1.715 . . . . 63.44 111.22 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 118.864 -0.964 . . . . 33.53 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.34 171.69 15.6 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.137 -2.171 . . . . 55.41 105.137 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.1 mtp -76.47 156.44 33.03 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.646 -0.872 . . . . 75.42 108.646 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.9 -24.71 66.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.388 0.884 . . . . 75.42 113.388 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -145.06 138.0 26.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.003 -0.74 . . . . 74.3 109.003 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' H ' ' HD2' ' A' ' 7' ' ' PRO . . . -122.93 -43.72 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.289 0 O-C-N 124.479 1.112 . . . . 61.21 112.811 175.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' HD2' ' H ' ' A' ' 6' ' ' ALA . 86.1 Cg_endo -71.35 154.38 61.1 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 115.002 -2.865 . . . . 74.44 113.441 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -170.85 -10.77 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 114.704 1.372 . . . . 71.42 114.704 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 t -73.25 149.39 42.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.961 0.886 . . . . 61.32 113.059 -172.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.52 85.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.452 1.278 . . . . 74.22 114.452 -175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -73.8 -29.61 62.26 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 121.6 -0.688 . . . . 61.12 110.973 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.67 -32.63 70.66 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 121.66 -0.65 . . . . 72.05 110.277 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -69.12 -31.8 70.75 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 120.651 -0.42 . . . . 65.43 111.749 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 m -74.02 -37.04 46.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 106.772 -1.566 . . . . 44.42 106.772 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.41 -44.37 65.03 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.011 -0.541 . . . . 72.04 109.571 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 t -52.28 -44.54 65.03 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 113.801 1.037 . . . . 52.21 113.801 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.61 90.94 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.994 1.109 . . . . 71.23 113.994 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.87 -35.5 78.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 112.224 -2.262 . . . . 72.44 111.284 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -71.68 -46.32 59.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.108 -0.701 . . . . 75.42 109.108 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.29 89.97 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.004 0.742 . . . . 53.21 113.004 -176.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.16 -39.34 93.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.278 0.561 . . . . 74.21 111.443 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -78.21 -33.44 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.503 -176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.22 -16.21 38.43 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.737 0.643 . . . . 73.31 112.737 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 33.08 58.81 Favored Glycine 0 C--O 1.216 -0.984 0 C-N-CA 120.808 -0.711 . . . . 71.34 113.94 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.82 159.92 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.912 0.863 . . . . 74.31 112.921 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.65 -23.09 53.28 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.426 -1.261 . . . . 74.51 112.024 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -161.8 140.75 9.64 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.802 0.334 . . . . 73.01 110.287 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.75 129.24 75.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 105.685 -1.969 . . . . 51.21 105.685 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.81 151.31 37.27 Favored Glycine 0 C--O 1.214 -1.118 0 N-CA-C 106.679 -2.568 . . . . 51.44 106.679 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.6 -9.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 121.491 -1.005 . . . . 73.31 110.75 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -109.21 6.24 24.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.222 -0.899 . . . . 71.32 110.517 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.12 120.62 25.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.568 -1.642 . . . . 72.01 106.568 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 148.2 47.11 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.822 -1.177 . . . . 64.1 107.822 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.6 -28.86 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.478 -0.564 . . . . 53.43 109.478 174.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -76.93 -32.64 57.49 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 116.35 -0.387 . . . . 70.25 111.499 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.08 -30.79 67.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.385 1.088 . . . . 74.12 109.622 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.58 -1.9 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 73.22 111.605 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.2 22.37 60.94 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.946 -0.645 . . . . 70.24 112.591 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 146.79 49.73 Favored Glycine 0 C--O 1.216 -0.97 0 CA-C-O 122.127 0.848 . . . . 75.02 112.307 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.47 174.82 5.92 Favored 'General case' 0 CA--C 1.467 -2.236 0 C-N-CA 123.112 0.565 . . . . 73.04 112.342 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.2 p -67.02 -40.34 87.21 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.957 -0.464 . . . . 64.43 112.191 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.62 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.157 0.503 . . . . 65.41 110.623 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.04 -37.82 78.78 Favored 'General case' 0 C--O 1.195 -1.801 0 N-CA-C 108.864 -0.791 . . . . 64.5 108.864 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.59 97.52 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.365 -1.334 . . . . 74.12 113.688 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.8 mtp -59.97 -39.36 85.39 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.301 1.41 . . . . 75.14 110.643 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -66.32 -38.39 87.57 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.727 -0.608 . . . . 71.1 109.638 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.05 -44.1 87.22 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.467 0.48 . . . . 75.34 111.03 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.71 -45.03 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.448 0.642 . . . . 71.43 109.739 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.18 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.839 -0.619 . . . . 71.24 112.615 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -72.07 -34.05 68.41 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.727 -0.608 . . . . 64.33 111.782 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -37.46 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.266 -1.012 . . . . 74.51 108.266 172.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -29.96 69.45 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 121.17 -0.956 . . . . 74.42 113.373 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.57 -52.4 32.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.754 -0.461 . . . . 65.02 109.754 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -76.44 -41.4 47.61 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.063 1.505 . . . . 75.44 115.063 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.26 -6.17 14.1 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.556 0.576 . . . . 62.34 112.556 -172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.95 12.02 85.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.514 0.965 . . . . 73.0 115.514 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.75 149.16 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.993 0 N-CA-C 113.958 1.095 . . . . 64.31 113.958 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.13 163.1 18.94 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 124.161 0.913 . . . . 74.13 109.476 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.72 141.1 37.4 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 106.143 -1.799 . . . . 64.14 106.143 172.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.07 154.38 66.58 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 115.118 -2.788 . . . . 72.33 110.343 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.64 -27.54 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.835 -0.541 . . . . 74.43 112.218 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.11 -33.6 76.42 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.711 -0.618 . . . . 73.42 111.96 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -74.2 -39.56 63.06 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.217 -0.66 . . . . 74.12 109.217 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -35.76 77.84 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 121.336 0.589 . . . . 73.51 110.283 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.04 -21.31 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.463 -0.773 . . . . 73.34 112.301 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -89.62 -14.22 35.4 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.61 0.719 . . . . 72.33 111.36 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 p -148.92 70.9 10.3 Favored Pre-proline 0 C--O 1.22 -0.493 0 CA-C-N 115.465 -0.789 . . . . 72.11 110.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.76 -9.49 15.77 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 121.898 1.732 . . . . 64.02 116.557 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -94.72 152.67 39.97 Favored Pre-proline 0 C--O 1.24 0.588 0 N-CA-C 109.119 -0.697 . . . . 74.24 109.119 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -51.6 -42.52 55.74 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 115.61 -2.46 . . . . 70.53 115.999 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.91 76.64 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-O 122.464 1.126 . . . . 54.24 111.273 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.42 -40.75 68.41 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 114.445 -1.252 . . . . 53.44 112.096 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.62 -36.12 76.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.379 -0.483 . . . . 73.11 110.107 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.15 89.15 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.703 -0.623 . . . . 64.32 111.956 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.31 -28.83 66.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.975 -0.69 . . . . 64.24 111.754 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.95 -38.92 83.38 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.466 -0.568 . . . . 63.02 109.466 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.3 mt -68.72 -36.09 77.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 122.069 -0.394 . . . . 73.35 111.439 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.72 69.43 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.15 0.18 . . . . 73.51 111.233 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.39 72.56 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.537 0.208 . . . . 61.53 111.069 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -69.89 -34.19 73.22 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.63 -0.507 . . . . 74.35 109.63 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 m -75.91 -19.73 58.58 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 121.275 0.56 . . . . 42.43 112.349 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.34 56.45 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.6 t -84.7 134.22 34.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.99 -0.374 . . . . 53.51 109.99 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.62 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 74.14 110.329 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.4 t -86.7 138.24 31.8 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.343 -0.984 . . . . 64.31 108.343 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -62.97 149.54 90.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 109.708 -0.478 . . . . 71.2 109.708 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.31 154.5 56.3 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 118.029 -0.847 . . . . 54.02 112.775 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -143.29 173.18 11.83 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.032 0.533 . . . . 74.44 110.178 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -85.71 -31.0 22.69 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.566 -1.197 . . . . 74.24 110.521 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.7 150.86 42.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.027 -0.988 . . . . 72.34 109.814 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.245 0.844 0 CA-C-O 115.8 -2.048 . . . . 74.1 107.474 -177.687 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 CA-C-O 118.381 -1.233 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 157.52 33.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.658 -1.608 . . . . 52.21 106.658 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -86.06 -7.26 58.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.552 0.575 . . . . 70.34 112.552 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.56 165.86 34.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.448 -1.315 . . . . 61.24 107.448 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.31 161.1 31.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 52.14 111.505 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.86 161.16 72.36 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.32 -0.855 . . . . 64.13 108.771 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.08 164.06 31.61 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 117.849 -0.967 . . . . 63.2 111.073 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -84.77 -61.79 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.175 -0.676 . . . . 73.1 109.175 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -85.76 139.9 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.904 -1.147 . . . . 64.33 107.904 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.39 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.123 0.416 . . . . 72.35 112.123 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -65.42 -26.96 68.2 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 112.482 0.549 . . . . 60.21 112.482 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -58.54 -33.1 69.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 120.97 -1.081 . . . . 75.34 111.754 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -67.92 -29.46 68.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 120.127 -0.629 . . . . 70.21 111.796 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -35.04 16.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.307 -1.368 . . . . 73.11 107.307 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.27 -39.75 74.75 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.639 -0.874 . . . . 50.31 108.639 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.66 -37.45 78.78 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.828 0.677 . . . . 51.13 112.828 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.34 92.28 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 117.911 -1.516 . . . . 75.05 109.94 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -36.02 82.24 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-N 113.298 -1.773 . . . . 73.24 112.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -66.12 -49.52 67.23 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.387 -1.338 . . . . 74.32 107.387 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.21 96.72 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.524 0.935 . . . . 75.52 113.524 -174.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.85 -39.49 94.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.519 0.676 . . . . 73.14 111.971 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -77.95 -36.59 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 64.41 109.701 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.29 -23.33 32.68 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 112.834 0.679 . . . . 72.24 112.834 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.9 34.63 26.8 Favored Glycine 0 C--O 1.213 -1.174 0 C-N-CA 121.393 -0.432 . . . . 74.35 113.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.22 153.18 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.888 0.852 . . . . 74.43 109.334 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.5 -23.36 50.31 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.457 0.91 . . . . 73.4 113.457 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -159.16 145.66 16.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.316 -1.365 . . . . 74.11 107.316 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.72 148.69 16.58 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 106.014 -1.847 . . . . 63.43 106.014 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.95 169.11 21.72 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 110.922 -0.871 . . . . 72.32 110.922 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -76.81 -8.06 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.79 -0.83 . . . . 74.02 112.873 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -108.69 1.37 21.13 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 123.811 0.694 . . . . 74.41 110.551 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -77.78 113.45 15.66 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.518 -1.289 . . . . 73.14 107.518 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.85 143.09 49.55 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.1 -1.074 . . . . 72.43 108.1 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.42 -31.2 54.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.259 0.466 . . . . 75.41 112.259 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -82.52 -22.57 34.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.884 1.068 . . . . 71.2 113.884 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.14 -32.67 70.78 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.343 -1.354 . . . . 71.14 107.343 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.93 0.75 14.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.13 -1.395 . . . . 70.42 111.677 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.72 15.56 67.74 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 121.811 -0.556 . . . . 52.53 113.611 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.47 154.71 53.29 Favored Glycine 0 C--O 1.238 0.396 0 C-N-CA 120.36 -0.924 . . . . 42.02 114.191 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.7 m -117.28 162.07 18.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.39 -0.405 . . . . 61.31 110.756 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 m -58.4 -36.42 73.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.065 0.46 . . . . 54.54 112.022 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.03 85.51 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.146 0.498 . . . . 62.44 109.986 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.58 -33.43 74.04 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.566 -0.531 . . . . 62.3 109.566 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.95 99.02 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-O 120.668 0.271 . . . . 55.51 110.42 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.69 -35.54 81.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.3 -0.875 . . . . 73.51 110.702 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.73 -35.96 79.7 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.603 -0.518 . . . . 74.45 109.603 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.17 -43.65 92.13 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 110.238 -0.282 . . . . 72.42 110.238 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.32 -42.52 96.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.057 0.456 . . . . 71.54 109.773 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.35 97.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.197 0.523 . . . . 60.52 111.778 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -67.9 -38.45 82.98 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.867 -0.42 . . . . 72.21 109.867 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mt -57.61 -40.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.155 -0.683 . . . . 72.44 109.155 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.88 -42.89 99.93 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.181 -0.608 . . . . 71.53 111.634 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.39 -45.59 92.45 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.598 -0.841 . . . . 71.03 111.687 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -87.29 -29.38 21.66 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 115.281 1.585 . . . . 74.35 115.281 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.74 -14.33 13.6 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.538 -0.726 . . . . 64.31 112.74 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.37 22.68 78.57 Favored Glycine 0 C--O 1.247 0.931 0 C-N-CA 121.035 -0.602 . . . . 54.14 114.309 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.64 160.8 42.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 O-C-N 121.838 -0.801 . . . . 72.13 113.017 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -128.83 153.29 47.59 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 124.205 0.94 . . . . 64.12 110.323 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 tp -146.47 132.76 9.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 108.48 -0.933 . . . . 73.32 108.48 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.08 154.0 71.15 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 115.951 -2.233 . . . . 75.23 113.19 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.05 -30.58 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.866 0.841 . . . . 71.25 108.835 -177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.37 -36.53 78.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 63.31 112.803 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -27.95 56.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.029 -0.36 . . . . 75.43 110.029 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -31.77 72.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.692 -0.231 . . . . 64.24 111.333 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.99 -33.21 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.215 -0.594 . . . . 74.04 111.526 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -84.86 -17.02 39.31 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.413 0.625 . . . . 74.01 111.616 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -132.25 66.97 78.43 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 115.308 -0.86 . . . . 74.35 110.508 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.93 -8.51 19.03 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.249 1.211 . . . . 71.43 115.249 -177.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.7 p -101.68 153.05 38.16 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 109.461 -0.57 . . . . 72.35 109.461 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.86 -37.85 92.64 Favored 'Trans proline' 0 C--N 1.355 0.896 0 N-CA-C 116.021 1.508 . . . . 75.11 116.021 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.63 74.19 Favored 'General case' 0 N--CA 1.413 -2.283 0 CA-C-O 122.731 1.253 . . . . 73.24 113.237 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.02 67.75 Favored Glycine 0 C--N 1.333 0.401 0 O-C-N 121.279 -0.888 . . . . 52.45 112.104 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.02 -35.56 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 117.688 0.744 . . . . 70.55 110.27 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.75 90.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.128 0.418 . . . . 62.2 112.128 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -71.05 -28.22 64.21 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 120.354 -0.538 . . . . 73.24 111.184 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.65 70.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.744 0.275 . . . . 70.5 111.744 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -28.41 69.43 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.034 0.445 . . . . 73.41 111.71 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.15 63.12 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.351 0.871 . . . . 55.43 113.351 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.8 76.04 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.6 -0.688 . . . . 54.12 112.667 -175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -69.27 -15.87 63.45 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.905 0.706 . . . . 54.24 112.905 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.2 t -85.45 -36.12 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.641 -0.503 . . . . 64.44 109.641 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.02 -34.24 61.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.015 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -126.4 99.59 5.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.837 -0.801 . . . . 62.32 108.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -67.87 -19.35 65.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 74.33 111.915 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 t -71.21 129.03 37.86 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.41 -0.959 . . . . 75.32 108.41 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -77.91 145.61 70.38 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.959 -0.564 . . . . 64.55 110.869 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.89 163.81 34.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 CA-C-O 121.377 0.49 . . . . 75.41 112.219 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.71 -27.42 66.8 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.042 0.449 . . . . 63.15 112.135 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -141.32 128.54 20.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.127 -0.694 . . . . 73.0 109.127 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.85 -2.47 58.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.593 1.187 . . . . 75.31 109.013 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 tptm . . . . . 0 C--O 1.255 1.387 0 CA-C-N 114.124 -1.398 . . . . 72.43 112.016 -178.025 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 N-CA-C 111.363 -0.695 . . . . 73.15 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.51 81.39 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.908 0.854 . . . . 51.14 112.029 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 ttm -98.52 143.66 28.69 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.58 -1.267 . . . . 75.35 107.58 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.19 165.59 31.39 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.903 -1.518 . . . . 53.34 106.903 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -116.13 -92.62 0.51 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.881 -1.155 . . . . 62.32 107.881 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.26 155.51 15.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 104.285 -2.487 . . . . 44.44 104.285 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.63 157.83 51.74 Favored 'Trans proline' 0 C--N 1.344 0.298 0 O-C-N 122.897 0.946 . . . . 43.12 110.931 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.06 -65.05 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.062 0.458 . . . . 70.43 110.775 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -75.2 146.07 41.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.256 0.55 . . . . 64.12 109.575 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.17 68.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.212 0.529 . . . . 52.43 112.396 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -26.11 65.21 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.074 0.398 . . . . 64.32 112.074 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.46 -36.07 82.53 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.538 -0.465 . . . . 74.22 109.756 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -66.41 -31.4 72.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 118.858 -0.591 . . . . 75.52 111.515 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 m -78.13 -36.86 21.88 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 N-CA-C 108.608 -0.886 . . . . 43.13 108.608 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.11 -42.91 79.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.924 -0.485 . . . . 62.51 110.645 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.29 -36.71 80.83 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.195 -0.602 . . . . 75.43 110.253 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.6 85.97 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 120.144 -0.622 . . . . 64.35 112.596 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -34.16 77.58 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.271 -0.877 . . . . 73.21 111.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -67.5 -46.14 73.77 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.205 -1.035 . . . . 74.12 108.205 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.51 78.27 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.868 0.692 . . . . 75.51 112.868 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.45 -42.31 87.09 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.691 0.758 . . . . 74.45 111.065 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.73 -41.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.672 -1.149 . . . . 63.21 109.083 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -17.14 52.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.929 0.715 . . . . 62.42 112.929 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 32.53 61.39 Favored Glycine 0 C--O 1.222 -0.636 0 O-C-N 121.467 -0.77 . . . . 75.11 113.09 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.19 160.99 6.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 122.885 1.326 . . . . 70.24 113.676 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.39 -33.57 73.23 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.441 -1.708 . . . . 72.54 110.427 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -160.51 147.05 15.46 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.191 -0.604 . . . . 74.01 111.051 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -126.72 132.8 69.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.988 -2.227 . . . . 73.23 104.988 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.88 161.94 27.26 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 109.106 -1.597 . . . . 61.11 109.106 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.91 -9.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 114.085 1.142 . . . . 75.04 114.085 -177.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -109.79 6.55 23.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.452 0.47 . . . . 65.34 110.378 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -84.23 116.07 22.77 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.365 -0.976 . . . . 64.45 108.365 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.5 148.53 40.9 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.8 -0.815 . . . . 62.01 108.8 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -58.6 -29.94 66.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.857 0.36 . . . . 71.43 110.624 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -82.78 -27.02 31.28 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.368 0.507 . . . . 71.12 112.368 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.07 -31.54 70.36 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 107.859 -1.164 . . . . 70.35 107.859 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -75.54 -3.4 33.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.278 -1.328 . . . . 72.24 112.412 174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.96 22.2 58.04 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 114.459 0.544 . . . . 64.5 114.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.89 159.43 53.85 Favored Glycine 0 CA--C 1.524 0.614 0 O-C-N 122.041 -0.682 . . . . 24.51 113.401 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 m -122.1 169.08 11.22 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.916 0.389 . . . . 63.44 111.75 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -54.18 -47.12 72.37 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.855 0.687 . . . . 62.12 112.855 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.73 92.75 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.995 -0.44 . . . . 64.4 110.961 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.37 -39.82 85.69 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.004 -0.739 . . . . 71.41 109.004 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.38 80.99 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 112.59 0.589 . . . . 75.31 112.59 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtt -71.29 -32.69 68.96 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.581 -0.7 . . . . 73.24 110.677 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.81 -34.96 77.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.891 -0.781 . . . . 74.41 108.891 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.54 -42.52 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.854 -0.612 . . . . 72.22 109.466 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 N-CA-C 108.97 -0.752 . . . . 73.43 108.97 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.329 0.492 . . . . 74.13 112.329 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.24 -41.75 89.58 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 110.133 -0.321 . . . . 73.13 110.133 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.25 -40.77 88.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 O-C-N 122.03 -0.419 . . . . 65.34 110.267 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -35.01 79.3 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 108.847 -0.797 . . . . 64.54 108.847 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -71.23 -48.17 52.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 115.389 1.625 . . . . 64.24 115.389 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -83.28 -40.94 18.9 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 112.998 0.74 . . . . 75.53 112.998 -173.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.03 -23.59 16.19 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.201 -0.454 . . . . 63.22 111.121 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.05 26.9 54.55 Favored Glycine 0 N--CA 1.464 0.558 0 C-N-CA 120.692 -0.766 . . . . 73.25 113.956 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 77' ' ' LEU . 9.9 p -130.84 134.45 61.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.182 0 CA-C-N 118.612 1.206 . . . . 71.03 110.472 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.89 84.31 7.75 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.508 1.147 . . . . 71.34 109.272 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.3 tp -75.44 120.57 82.26 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.542 -0.754 . . . . 44.23 110.432 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.0 150.09 33.57 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 114.251 -3.366 . . . . 52.22 112.845 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.97 -22.74 22.34 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 123.419 0.687 . . . . 72.5 111.823 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -65.11 -42.48 93.93 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.793 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.1 -34.7 68.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.633 -0.427 . . . . 72.11 110.056 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -37.15 85.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.337 -0.392 . . . . 74.21 110.915 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.77 -21.21 55.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.651 0.611 . . . . 63.25 112.651 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 m -86.73 -21.17 26.75 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.925 0.393 . . . . 52.12 110.645 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -141.66 77.07 19.58 Favored Pre-proline 0 C--N 1.314 -0.936 0 C-N-CA 123.559 0.743 . . . . 74.53 109.941 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -78.33 -2.24 12.32 Favored 'Trans proline' 0 N--CA 1.471 0.2 0 N-CA-C 114.772 1.028 . . . . 63.13 114.772 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 p -101.8 143.81 27.34 Favored Pre-proline 0 N--CA 1.469 0.521 0 O-C-N 123.177 0.298 . . . . 71.22 110.26 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.47 -43.72 43.23 Favored 'Trans proline' 0 CA--C 1.504 -1.023 0 N-CA-C 118.316 2.391 . . . . 72.04 118.316 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.64 -30.85 71.21 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.598 -1.241 . . . . 72.14 109.62 -169.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.74 61.29 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.019 -0.832 . . . . 54.41 111.019 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.17 -40.94 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.25 93.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.618 -0.676 . . . . 42.41 112.657 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -71.58 -25.76 62.33 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.916 -0.49 . . . . 72.14 111.552 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.49 73.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.228 0.537 . . . . 41.14 109.57 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 57' ' ' VAL . 97.8 mt -68.26 -22.86 64.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.026 -0.534 . . . . 73.23 112.014 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.61 -16.89 42.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.932 0.493 . . . . 54.53 111.136 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -17.06 20.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.66 0.384 . . . . 55.15 112.01 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -54.19 -34.14 59.83 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 122.856 0.462 . . . . 44.12 111.373 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -69.22 -27.81 65.8 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 113.116 0.784 . . . . 70.13 113.116 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.92 -9.87 23.56 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.916 0.389 . . . . 71.31 111.075 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.0 m -83.9 157.6 21.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.315 -0.624 . . . . 65.12 109.315 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -73.86 127.92 34.15 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.935 -0.394 . . . . 74.52 109.935 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 m -77.67 126.58 31.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.918 0.389 . . . . 44.13 110.919 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -64.77 155.84 81.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.616 -0.883 . . . . 55.21 108.616 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.71 70.89 4.15 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 N-CA-C 114.399 0.884 . . . . 74.32 114.399 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -156.22 165.8 35.31 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 102.35 -3.204 . . . . 72.43 102.35 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.81 130.92 49.17 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.894 -0.41 . . . . 72.53 109.894 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -83.74 164.37 19.63 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 123.854 0.721 . . . . 74.04 110.132 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt . . . . . 0 C--O 1.266 1.95 0 CA-C-O 116.797 -1.573 . . . . 71.44 109.058 175.373 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.544 0 CA-C-O 118.575 -1.125 . . . . 73.12 111.711 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.84 167.18 31.13 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.356 1.078 . . . . 65.44 110.207 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mtp -127.45 135.02 49.84 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 106.45 -1.685 . . . . 74.53 106.45 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.06 -23.22 61.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 119.715 -0.794 . . . . 63.15 113.03 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -130.42 152.11 50.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.637 0.653 . . . . 74.34 110.174 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 154.69 78.17 Favored Pre-proline 0 C--N 1.301 -1.514 0 O-C-N 124.529 1.143 . . . . 61.54 109.901 166.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -77.59 178.64 7.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 121.938 1.759 . . . . 63.23 112.754 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 63.38 31.59 15.06 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 124.01 1.862 . . . . 70.23 111.16 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -73.59 163.81 27.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.159 -1.382 . . . . 75.12 109.795 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -50.1 69.66 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 116.207 1.928 . . . . 71.42 116.207 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -69.17 -24.4 64.06 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 112.947 0.721 . . . . 63.13 112.947 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.64 -29.22 69.92 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.512 -0.743 . . . . 73.33 111.996 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -65.15 -35.73 82.01 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.557 -0.857 . . . . 65.34 111.628 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.55 -34.68 36.03 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 C-N-CA 120.432 -0.507 . . . . 75.42 110.44 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.2 -38.37 60.77 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.545 -0.722 . . . . 52.15 110.963 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.3 -36.86 73.97 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.901 -0.591 . . . . 51.32 110.418 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.87 64.48 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.504 1.145 . . . . 75.02 111.522 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.73 -41.54 97.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.811 -1.541 . . . . 74.04 110.984 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.16 -45.29 93.59 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.123 -0.49 . . . . 64.34 112.07 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.85 98.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 112.268 0.47 . . . . 75.21 112.268 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.81 -46.92 81.29 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.956 1.36 . . . . 53.44 110.944 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.7 -41.01 24.26 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 O-C-N 121.362 -0.837 . . . . 64.45 111.512 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.29 -16.18 58.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.068 -1.02 . . . . 54.23 110.351 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.87 42.07 95.17 Favored Glycine 0 N--CA 1.475 1.287 0 CA-C-N 119.6 1.091 . . . . 72.04 114.742 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -112.79 165.05 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-O 122.749 1.261 . . . . 72.32 109.317 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -71.07 -33.89 70.67 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 113.895 -1.502 . . . . 71.4 113.291 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 160.68 23.28 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 118.04 -0.981 . . . . 61.21 109.288 174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.44 HG13 HD11 ' A' ' 37' ' ' LEU . 71.6 t -128.53 142.08 44.85 Favored 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 125.45 1.5 . . . . 75.32 108.533 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.2 152.49 24.51 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 118.69 -1.719 . . . . 44.53 109.702 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.62 -8.22 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.834 -1.392 . . . . 73.22 109.889 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.41 11.73 17.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 121.91 -0.494 . . . . 71.3 110.558 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 130.56 41.88 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 107.71 -1.218 . . . . 54.13 107.71 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.88 150.17 36.04 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-O 122.339 1.066 . . . . 74.02 111.129 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 47' ' ' LEU . 41.9 t80 -59.92 -33.25 71.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 123.376 1.56 . . . . 74.53 108.752 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -72.33 -34.87 68.39 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 113.682 -1.599 . . . . 74.11 114.39 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.21 -27.54 62.6 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-N 120.407 1.458 . . . . 54.45 109.476 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD11 HG13 ' A' ' 28' ' ' VAL . 81.7 mt -74.83 0.18 16.35 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 113.225 0.824 . . . . 60.02 113.225 174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 26.7 57.45 Favored Glycine 0 C--O 1.213 -1.215 0 O-C-N 120.992 -1.067 . . . . 73.24 115.357 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.31 174.99 29.76 Favored Glycine 0 N--CA 1.433 -1.54 0 O-C-N 124.423 0.719 . . . . 73.11 113.038 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 m -137.99 167.21 22.24 Favored 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.854 -1.38 . . . . 61.21 108.82 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -63.55 -34.97 78.97 Favored 'General case' 0 C--O 1.2 -1.506 0 C-N-CA 119.327 -0.949 . . . . 61.43 111.752 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.79 89.95 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 120.022 -1.674 . . . . 65.53 108.97 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.57 -34.95 79.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.492 -1.231 . . . . 73.14 109.54 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -39.24 88.5 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 114.459 -1.246 . . . . 71.54 109.259 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.95 -37.08 85.11 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.876 0.845 . . . . 73.42 110.528 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -67.14 -36.18 81.31 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.546 -0.722 . . . . 72.24 109.926 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD22 ' CE1' ' A' ' 34' ' ' PHE . 64.4 tp -58.18 -46.74 85.23 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 123.027 0.531 . . . . 71.15 111.792 175.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -46.2 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 107.993 -1.114 . . . . 60.35 107.993 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.47 72.79 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.859 0.837 . . . . 74.12 112.112 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -72.16 -31.4 65.93 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 121.785 -0.572 . . . . 70.24 111.572 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.18 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.483 -0.932 . . . . 73.02 108.483 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.556 -0.715 . . . . 65.41 110.574 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.29 -51.6 29.13 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.263 0.977 . . . . 61.4 109.721 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -77.12 -42.52 37.69 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 116.484 2.031 . . . . 54.24 116.484 -178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.05 -19.99 12.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 119.269 -2.144 . . . . 72.01 113.364 -173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.81 20.8 60.68 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 119.096 2.398 . . . . 55.3 119.096 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.32 138.44 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.124 -1.221 . . . . 73.2 113.161 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -107.06 100.02 9.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.606 0.717 . . . . 63.44 109.966 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tp -100.79 128.23 30.35 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 106.943 -1.502 . . . . 71.13 106.943 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.36 164.32 34.33 Favored 'Trans proline' 0 N--CA 1.486 1.076 0 C-N-CA 115.557 -2.496 . . . . 63.21 114.144 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mm -55.41 -41.34 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 119.407 -2.058 . . . . 73.34 111.666 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -58.14 -39.93 80.02 Favored 'General case' 0 C--O 1.201 -1.457 0 C-N-CA 120.101 -0.64 . . . . 71.41 111.976 -176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.21 -25.08 60.62 Favored 'General case' 0 C--O 1.187 -2.225 0 O-C-N 120.628 -1.295 . . . . 63.1 112.311 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -30.19 61.92 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 120.736 -1.228 . . . . 74.01 110.964 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.84 -28.6 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.649 1.218 . . . . 72.34 110.284 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -85.96 -23.78 26.78 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.755 -1.111 . . . . 72.42 111.409 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -125.59 66.65 56.15 Favored Pre-proline 0 CA--C 1.491 -1.308 0 C-N-CA 123.958 0.903 . . . . 64.03 108.867 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.28 -5.71 14.43 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 116.075 -2.15 . . . . 64.54 114.378 -173.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.6 p -93.65 148.12 34.83 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.856 -0.794 . . . . 72.2 108.856 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 -36.68 60.49 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 114.505 -3.197 . . . . 64.43 115.015 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.39 64.51 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 106.985 -1.487 . . . . 61.04 106.985 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.43 -43.88 94.14 Favored Glycine 0 CA--C 1.487 -1.7 0 O-C-N 121.194 -0.941 . . . . 51.42 110.925 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.09 -43.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 118.879 -1.128 . . . . 54.21 109.141 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.26 88.24 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.742 0.782 . . . . 62.01 112.277 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -67.7 -31.93 72.22 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 117.882 -1.056 . . . . 60.24 111.071 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.95 77.99 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.93 0.786 . . . . 52.22 109.647 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.72 -43.02 99.65 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.201 1.0 . . . . 75.21 109.107 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.24 82.99 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.557 -0.747 . . . . 74.21 110.91 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.0 90.95 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.928 -1.108 . . . . 65.22 109.368 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.05 -41.1 91.27 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 112.495 0.554 . . . . 64.43 112.495 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -67.06 -24.22 65.95 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.092 -1.043 . . . . 74.42 112.067 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.27 -7.73 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.641 -0.824 . . . . 65.44 109.825 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.1 m -72.78 148.59 44.43 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.651 0.66 . . . . 73.21 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -81.36 -33.8 32.17 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.615 1.197 . . . . 73.53 111.374 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 p -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 107.652 -1.24 . . . . 61.21 107.652 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -67.71 153.3 95.31 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 108.746 -0.835 . . . . 64.02 108.746 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.8 157.58 43.52 Favored 'Trans proline' 0 C--O 1.244 0.789 0 C-N-CA 115.404 -2.597 . . . . 54.13 112.753 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -117.72 162.61 17.78 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.631 -0.507 . . . . 73.31 109.631 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.43 164.87 37.75 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 106.218 -1.771 . . . . 65.44 106.218 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.04 154.8 27.06 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.884 -1.154 . . . . 72.34 107.884 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 tptt . . . . . 0 C--O 1.269 2.112 0 CA-C-N 115.835 -0.621 . . . . 64.3 111.507 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 117.747 -1.585 . . . . 61.45 110.795 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.38 4.96 11.62 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 118.919 1.359 . . . . 62.23 113.061 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.8 ptp 65.21 -29.58 0.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 117.318 2.34 . . . . 74.45 117.318 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.28 156.3 22.54 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 108.04 -1.096 . . . . 52.14 108.04 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.11 159.72 39.99 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 108.465 -0.939 . . . . 71.24 108.465 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.16 45.59 Favored Pre-proline 0 C--N 1.308 -1.208 0 N-CA-C 106.862 -1.533 . . . . 53.41 106.862 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -66.4 162.46 36.33 Favored 'Trans proline' 0 C--O 1.2 -1.394 0 N-CA-C 118.631 2.512 . . . . 71.34 118.631 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.64 35.49 2.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.835 -1.53 . . . . 75.1 107.024 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.59 159.31 33.29 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.527 -0.76 . . . . 70.45 112.006 -173.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.98 72.21 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 114.183 1.179 . . . . 62.05 114.183 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -74.91 -25.07 58.66 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.266 0.939 . . . . 62.11 112.24 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -63.95 -31.25 72.37 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.121 -0.987 . . . . 52.44 110.83 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -64.86 -28.85 69.83 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.41 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.4 -33.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 107.872 -1.159 . . . . 72.21 107.872 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.08 -47.88 26.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.046 -1.094 . . . . 71.44 108.046 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -54.01 -33.79 58.11 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 118.177 -1.409 . . . . 73.21 111.691 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.33 62.78 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-O 123.611 1.672 . . . . 51.31 112.471 -174.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -41.84 97.14 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 111.675 -2.511 . . . . 74.4 113.351 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.52 -49.95 75.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.086 -1.079 . . . . 71.22 108.086 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.16 81.16 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.397 0.888 . . . . 75.43 113.397 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -64.82 -36.08 83.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 112.252 0.464 . . . . 74.52 112.252 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.02 -42.97 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 109.999 -0.371 . . . . 64.23 109.999 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.09 -13.11 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 114.737 1.384 . . . . 65.01 114.737 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.73 62.57 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.07 -0.586 . . . . 72.44 113.684 174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.45 154.56 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 109.449 -0.574 . . . . 73.42 109.449 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.79 -33.28 74.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.79 0.805 . . . . 52.22 110.405 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -158.93 150.34 20.53 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.375 -1.343 . . . . 73.23 107.375 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.98 145.9 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.646 -1.983 . . . . 74.43 105.646 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.12 174.01 20.26 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 116.201 -0.454 . . . . 72.24 112.351 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -12.38 15.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-O 122.471 1.129 . . . . 54.33 111.914 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -100.75 -12.63 18.94 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 124.085 0.954 . . . . 65.35 111.14 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -72.93 122.37 21.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.058 0.456 . . . . 73.22 110.905 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.65 148.11 24.96 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.806 -0.634 . . . . 73.42 109.458 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.12 -26.43 38.24 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 122.845 0.458 . . . . 73.44 111.341 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -75.92 -32.95 59.84 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 113.099 0.777 . . . . 63.14 113.099 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.96 -36.31 62.08 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.268 -1.012 . . . . 62.05 108.268 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.53 3.82 5.68 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.142 -0.935 . . . . 75.04 112.65 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 18.75 78.76 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 116.025 1.17 . . . . 31.44 116.025 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.05 158.19 53.68 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-O 122.582 1.101 . . . . 61.02 114.695 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -122.38 167.22 13.55 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 114.524 -0.838 . . . . 72.12 109.134 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 m -57.79 -36.97 72.9 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 121.812 -0.555 . . . . 73.3 112.335 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.26 96.79 Favored 'General case' 0 CA--C 1.556 1.19 0 O-C-N 121.621 -0.674 . . . . 62.21 112.395 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.75 -34.99 72.42 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.616 -0.883 . . . . 74.25 108.616 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.05 93.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.25 -0.18 . . . . 71.4 110.889 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.86 -33.11 75.08 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 121.956 -0.465 . . . . 60.42 110.995 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -70.92 -34.24 71.33 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 60.32 110.126 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.18 -42.02 89.83 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 119.394 -0.336 . . . . 72.42 110.171 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.66 -47.2 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 109.109 -0.7 . . . . 64.34 109.109 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.6 99.14 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 113.367 0.877 . . . . 65.14 113.367 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -70.19 -40.53 74.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.475 -0.33 . . . . 61.42 110.605 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.86 -39.46 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 N-CA-C 108.866 -0.79 . . . . 54.41 108.866 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.59 76.27 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.115 -0.991 . . . . 74.22 112.981 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.27 -44.36 37.62 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 111.575 0.213 . . . . 70.31 111.575 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -79.94 -37.35 34.69 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 113.455 0.909 . . . . 74.42 113.455 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.02 -10.63 13.47 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.19 1.181 . . . . 75.35 114.19 -173.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.73 22.09 78.64 Favored Glycine 0 C--N 1.31 -0.885 0 N-CA-C 116.602 1.401 . . . . 51.35 116.602 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.71 136.48 59.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-O 121.85 0.834 . . . . 62.1 111.438 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -96.27 114.76 26.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 114.753 -1.112 . . . . 53.25 110.311 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.59 123.66 47.18 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 121.027 0.442 . . . . 72.32 111.149 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.43 147.79 41.91 Favored 'Trans proline' 0 C--O 1.221 -0.356 0 C-N-CA 113.61 -3.793 . . . . 73.44 112.47 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -57.75 -26.7 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.477 0.711 . . . . 73.53 111.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -63.15 -35.81 81.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.581 -0.7 . . . . 75.32 111.658 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.54 -26.85 45.82 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 119.218 -0.993 . . . . 63.14 110.413 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -35.4 79.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.934 0.397 . . . . 75.41 111.886 177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -64.61 -34.39 78.16 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.874 -0.516 . . . . 71.01 112.152 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -89.86 -12.92 37.64 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.521 0.677 . . . . 74.21 111.399 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -124.89 61.19 30.75 Favored Pre-proline 0 C--N 1.309 -1.169 0 C-N-CA 124.419 1.087 . . . . 75.35 110.522 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.11 -11.51 17.75 Favored 'Trans proline' 0 CA--C 1.517 -0.326 0 C-N-CA 117.633 -1.112 . . . . 74.02 114.327 -172.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -106.28 154.16 39.91 Favored Pre-proline 0 C--O 1.258 1.532 0 N-CA-C 108.552 -0.907 . . . . 71.44 108.552 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.33 -33.54 91.73 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 116.303 -1.998 . . . . 64.43 114.312 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.37 68.07 Favored 'General case' 0 N--CA 1.411 -2.386 0 CA-C-O 122.536 1.16 . . . . 54.51 112.489 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.0 -38.41 19.34 Favored Glycine 0 C--O 1.195 -2.319 0 N-CA-C 108.868 -1.693 . . . . 71.51 108.868 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.79 81.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 122.099 -0.648 . . . . 62.23 110.651 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.77 93.11 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.481 -0.762 . . . . 52.32 112.193 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.76 -32.36 72.91 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.677 -0.409 . . . . 63.15 110.481 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.13 75.66 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 116.735 -0.211 . . . . 42.5 111.05 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.31 -43.99 69.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.022 -0.362 . . . . 52.52 110.022 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.85 92.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.898 -0.408 . . . . 61.21 109.898 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.02 -27.18 66.33 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 115.776 -0.647 . . . . 71.11 111.563 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -78.82 -29.28 44.66 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.896 -0.502 . . . . 72.05 110.993 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.3 p -91.52 -21.39 20.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.711 -0.395 . . . . 72.11 110.913 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.51 144.6 27.85 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.682 0.754 . . . . 61.24 110.158 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -86.34 -13.85 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 72.35 111.476 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -136.51 160.72 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.15 109.87 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m -72.94 161.39 30.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.786 0.679 . . . . 72.01 109.313 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -76.02 156.25 84.23 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 107.982 -1.118 . . . . 74.45 107.982 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 160.01 49.79 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 117.263 -1.358 . . . . 73.02 111.337 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -75.97 165.1 25.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.778 -1.564 . . . . 74.52 106.778 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.79 142.45 58.19 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.501 -0.925 . . . . 71.2 108.501 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -76.33 164.18 26.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.166 -1.379 . . . . 71.12 111.814 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 tptt . . . . . 0 C--O 1.251 1.133 0 N-CA-C 105.462 -2.051 . . . . 75.21 105.462 177.27 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 CA-C-O 118.193 -1.337 . . . . 70.3 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.95 56.93 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 118.026 0.913 . . . . 74.13 112.657 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.7 mmt 61.93 58.13 1.98 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.996 0.903 . . . . 70.42 110.768 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.66 149.74 39.29 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.825 -1.176 . . . . 63.23 107.825 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -122.96 -16.8 6.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 114.577 1.325 . . . . 52.31 114.577 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.82 148.17 0.09 OUTLIER Pre-proline 0 N--CA 1.486 1.367 0 N-CA-C 118.27 2.693 . . . . 75.55 118.27 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.26 161.96 34.43 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 116.667 -1.755 . . . . 75.24 114.788 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -110.12 -50.14 3.0 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.419 1.104 . . . . 64.54 111.327 173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.0 t -88.39 148.55 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.875 -1.141 . . . . 74.13 109.266 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.85 70.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.517 -0.74 . . . . 64.5 110.035 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -24.38 66.54 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 113.756 1.021 . . . . 43.22 113.756 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -64.82 -26.33 68.29 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 120.926 -1.109 . . . . 63.21 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -70.88 -32.15 69.04 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 119.721 -0.792 . . . . 73.1 112.332 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -31.83 29.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 120.992 0.425 . . . . 43.33 110.3 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.33 -38.52 50.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 120.988 -1.07 . . . . 75.32 110.38 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 t -57.17 -36.76 71.16 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 118.474 -0.774 . . . . 61.03 111.976 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.38 62.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.29 0.567 . . . . 64.32 112.071 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.25 -41.52 96.91 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.953 -1.022 . . . . 73.34 111.243 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.23 -46.03 83.36 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.739 -0.664 . . . . 73.25 111.514 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.3 99.66 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 113.156 0.799 . . . . 61.3 113.156 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -56.98 -48.69 77.79 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 122.863 1.316 . . . . 63.43 111.906 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.52 -35.99 33.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 114.984 -1.007 . . . . 62.21 111.853 -172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.91 -9.36 55.88 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 120.562 -1.336 . . . . 75.14 110.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.49 29.16 70.15 Favored Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.934 -1.104 . . . . 61.43 114.91 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.97 157.48 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 CA-C-O 123.639 1.685 . . . . 61.52 108.668 -174.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.85 -32.36 63.63 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 113.923 -1.49 . . . . 65.32 114.187 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -154.11 146.12 23.61 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.387 -0.816 . . . . 75.35 110.504 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.67 142.38 41.71 Favored 'Isoleucine or valine' 0 C--O 1.268 2.032 0 O-C-N 125.741 1.901 . . . . 61.45 108.256 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.52 158.09 22.05 Favored Glycine 0 C--O 1.212 -1.274 0 N-CA-C 108.012 -2.035 . . . . 75.22 108.012 171.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -72.04 -5.67 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 121.264 -1.139 . . . . 73.35 113.601 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -112.84 8.0 18.59 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 116.158 -0.474 . . . . 63.4 110.984 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -81.94 117.43 22.17 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 107.587 -1.264 . . . . 51.52 107.587 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.23 148.63 45.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.554 -1.276 . . . . 55.35 107.554 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -59.68 -32.81 70.84 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.806 1.288 . . . . 71.01 110.545 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.16 -38.07 78.56 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 114.919 -1.037 . . . . 73.31 113.096 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.93 -33.6 75.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.518 1.152 . . . . 72.25 112.262 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.06 -9.34 57.88 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-N 114.644 -1.162 . . . . 52.34 113.212 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.72 11.7 Favored Glycine 0 C--O 1.213 -1.205 0 N-CA-C 116.508 1.363 . . . . 53.43 116.508 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.24 174.94 33.31 Favored Glycine 0 C--N 1.299 -1.485 0 N-CA-C 116.748 1.459 . . . . 72.13 116.748 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -143.19 161.66 37.67 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 106.243 -1.762 . . . . 73.32 106.243 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -60.28 -35.71 76.17 Favored 'General case' 0 C--O 1.204 -1.338 0 CA-C-N 118.545 0.611 . . . . 62.43 109.834 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.38 81.93 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.667 -1.27 . . . . 23.34 110.298 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.8 -38.31 90.62 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 123.066 1.412 . . . . 65.13 109.849 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.24 89.34 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 114.182 -1.372 . . . . 61.12 110.619 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 mtm -67.84 -35.45 78.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.264 -0.897 . . . . 74.31 110.304 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.45 -36.57 76.75 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.724 -1.235 . . . . 71.52 109.558 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.15 -39.25 69.28 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 113.141 0.793 . . . . 55.12 113.141 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.74 -46.38 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 123.553 1.644 . . . . 64.12 107.505 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.33 96.44 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.483 -1.235 . . . . 70.44 112.712 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -69.79 -35.67 75.05 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.654 -0.654 . . . . 74.51 111.421 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.0 -37.25 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.086 -1.079 . . . . 64.3 108.086 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -63.45 -38.36 90.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 119.085 -0.483 . . . . 74.13 110.028 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 124.55 1.156 . . . . 60.23 110.298 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -82.21 -37.95 25.29 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.857 2.169 . . . . 61.35 116.857 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.78 -15.07 12.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 118.979 -2.326 . . . . 75.41 114.689 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.78 75.15 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.924 2.33 . . . . 74.03 118.924 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.17 145.83 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.357 -1.672 . . . . 55.4 111.919 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -108.82 132.22 54.21 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 106.953 -1.499 . . . . 70.02 106.953 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -127.47 127.02 24.19 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 108.914 -0.772 . . . . 75.35 108.914 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.83 153.29 42.55 Favored 'Trans proline' 0 N--CA 1.488 1.175 1 C-N-CA 113.153 -4.098 . . . . 74.33 111.543 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 tp -65.65 -27.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.379 -2.076 . . . . 74.54 109.793 -178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -61.07 -39.2 88.98 Favored 'General case' 0 C--O 1.18 -2.597 0 C-N-CA 120.135 -0.626 . . . . 75.44 112.061 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -67.14 -34.0 76.65 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.899 -0.72 . . . . 74.12 111.849 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -31.5 71.06 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 113.007 0.743 . . . . 73.22 113.007 177.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.54 -20.73 56.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 122.679 1.228 . . . . 60.32 110.277 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 m -93.21 -16.41 24.86 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.291 -1.322 . . . . 71.01 110.598 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -145.12 69.01 14.14 Favored Pre-proline 0 C--O 1.215 -0.741 0 N-CA-C 108.935 -0.765 . . . . 71.12 108.935 -174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.77 -8.78 21.84 Favored 'Trans proline' 0 C--N 1.363 1.334 0 N-CA-C 117.653 2.136 . . . . 53.31 117.653 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -91.13 151.7 43.35 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-N 120.924 1.693 . . . . 72.41 112.379 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.82 -35.4 69.63 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 115.304 -2.664 . . . . 72.4 115.428 174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.71 67.88 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 108.42 -0.955 . . . . 63.54 108.42 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.68 26.19 Favored Glycine 0 CA--C 1.48 -2.095 0 O-C-N 120.689 -1.257 . . . . 75.03 113.246 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.76 -32.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 119.492 1.646 . . . . 72.41 110.661 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.91 56.71 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.754 1.39 . . . . 75.33 114.754 -174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.465 0.543 . . . . 71.22 112.465 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.36 74.48 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.206 -1.035 . . . . 71.53 108.206 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.64 -31.83 68.9 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.408 0.623 . . . . 75.31 110.769 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.03 82.35 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 122.165 0.983 . . . . 63.41 110.327 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.73 75.84 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.356 -0.84 . . . . 52.43 111.229 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -65.8 -38.4 88.87 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.156 -0.683 . . . . 71.23 109.156 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 8.6 t -65.52 -28.72 69.39 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-O 121.178 0.513 . . . . 73.24 110.403 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.1 0.39 56.06 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 120.959 -1.088 . . . . 42.54 111.522 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -84.66 169.93 13.82 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.955 0.798 . . . . 71.53 112.75 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -64.49 -39.93 94.71 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.699 1.238 . . . . 71.31 108.522 170.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.7 t -81.61 103.79 11.57 Favored 'General case' 0 C--O 1.248 0.998 0 N-CA-C 107.223 -1.399 . . . . 74.11 107.223 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -62.8 147.24 93.87 Favored Pre-proline 0 C--O 1.256 1.407 0 O-C-N 124.376 1.048 . . . . 75.15 110.737 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 81' ' ' SER . 74.3 Cg_endo -76.52 -11.82 18.72 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 116.559 -1.827 . . . . 71.41 113.793 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.0 144.71 45.31 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.717 -1.216 . . . . 62.12 107.717 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 54.59 32.48 17.14 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.014 2.071 . . . . 72.52 112.193 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.46 146.85 28.17 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.658 -0.651 . . . . 61.35 110.701 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm . . . . . 0 C--O 1.276 2.458 0 CA-C-O 115.358 -2.258 . . . . 71.1 107.235 175.375 . . . . . . . . 0 0 . 1 stop_ save_