data_1ie5_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 1ie5 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 118.094 -0.955 . . . . 10.0 109.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.373 0.13 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.918 -0.563 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 118.797 -0.621 . . . . 10.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.554 1.122 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 118.718 -0.658 . . . . 10.0 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.239 0.533 0 CA-C-O 117.99 -1.005 . . . . 10.0 109.217 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 111.366 0.135 . . . . 10.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 . . . . . 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 112.203 0.445 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 117.413 -1.279 . . . . 10.0 111.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.413 ' HE1' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' NE2' ' HE1' ' A' ' 47' ' ' TRP . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 117.685 -1.15 . . . . 10.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 119.255 -0.402 . . . . 10.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 . . . . . 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.244 0.796 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 113.904 1.075 . . . . 10.0 113.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 119.325 -0.369 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 . . . . . 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 118.874 -0.584 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.822 0.82 . . . . 10.0 112.089 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 119.058 -0.496 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.242 0.665 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 112.339 -0.304 . . . . 10.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -160.41 162.49 33.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.18 -55.71 4.57 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.346 1.058 . . . . 10.0 111.262 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mt -153.88 -49.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 10.0 109.826 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -147.2 30.26 0.95 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.029 1.732 . . . . 10.0 112.893 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -146.94 136.57 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.488 1.915 . . . . 10.0 108.751 -175.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.36 93.52 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 t -145.71 146.02 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.621 2.368 . . . . 10.0 107.389 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -128.25 111.79 13.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.335 1.054 . . . . 10.0 108.967 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.83 118.33 63.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.226 1.81 . . . . 10.0 109.02 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.18 157.95 17.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.26 168.81 18.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.184 0.993 . . . . 10.0 112.033 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.0 28.95 18.37 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 126.154 1.782 . . . . 10.0 112.074 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.82 -169.89 42.68 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 127.647 2.546 . . . . 10.0 110.838 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m -143.05 24.63 1.81 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.047 1.339 . . . . 10.0 110.893 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.855 -0.098 . . . . 10.0 112.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -160.98 145.95 14.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -81.4 122.8 27.95 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.764 0.826 . . . . 10.0 110.486 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.31 -14.93 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.073 1.349 . . . . 10.0 112.182 -172.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -160.58 -157.64 0.55 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.097 2.159 . . . . 10.0 107.64 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.27 53.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 126.281 1.832 . . . . 10.0 109.814 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.9 mt -150.14 111.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 129.216 3.006 . . . . 10.0 105.04 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -87.43 142.16 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.4 1.08 . . . . 10.0 109.555 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -90.31 99.51 12.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.693 1.197 . . . . 10.0 110.522 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -100.75 122.54 48.86 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 127.073 2.149 . . . . 10.0 110.057 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -98.95 176.41 5.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -106.85 -26.12 11.38 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -172.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.19 26.74 2.75 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.9 2.08 . . . . 10.0 112.164 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.4 -158.06 25.11 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 129.043 3.211 . . . . 10.0 107.886 -171.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -152.04 17.22 0.66 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -170.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -157.95 154.36 27.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.779 1.232 . . . . 10.0 110.249 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.17 -10.79 54.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.552 1.141 . . . . 10.0 113.53 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.2 mm -100.53 -24.85 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.214 1.406 . . . . 10.0 114.025 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.36 29.24 0.34 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.542 1.682 . . . . 10.0 115.542 -169.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -134.8 125.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.224 1.81 . . . . 10.0 109.59 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 mm -84.74 77.25 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 122.709 1.242 . . . . 10.0 111.625 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -151.83 -45.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 127.844 2.457 . . . . 10.0 109.756 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -81.31 146.01 30.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.112 1.365 . . . . 10.0 112.422 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.85 120.93 4.35 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 127.457 2.303 . . . . 10.0 109.87 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -95.46 -179.89 4.92 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -113.81 148.08 37.23 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.701 1.601 . . . . 10.0 108.984 168.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 56.02 29.68 14.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 123.118 1.437 . . . . 10.0 112.085 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.96 173.51 46.31 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 129.754 3.55 . . . . 10.0 108.856 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -144.09 28.8 1.36 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.97 1.385 . . . . 10.0 113.252 -169.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -163.38 171.18 16.41 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.361 1.864 . . . . 10.0 112.309 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -78.92 -17.7 55.06 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 mm -80.45 -28.78 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -134.13 14.91 3.86 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -151.67 101.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.369 1.868 . . . . 10.0 108.017 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mm -82.49 75.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.787 1.28 . . . . 10.0 110.588 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.9 t -156.04 -38.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 129.436 3.094 . . . . 10.0 109.506 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -78.25 163.25 25.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.604 1.162 . . . . 10.0 112.121 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -149.93 124.27 4.64 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.44 1.896 . . . . 10.0 108.652 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -85.62 -175.65 5.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -78.63 -13.24 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -90.43 -11.69 39.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.353 1.461 . . . . 10.0 111.845 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.63 4.23 87.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.429 1.014 . . . . 10.0 113.015 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p -89.5 -55.6 3.59 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.775 -0.53 . . . . 10.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -157.72 168.5 27.04 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.977 1.311 . . . . 10.0 113.344 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.66 151.31 20.25 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 127.766 2.426 . . . . 10.0 109.984 170.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.19 149.06 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.696 1.198 . . . . 10.0 111.208 -169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -82.95 31.12 0.43 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.575 -1.328 . . . . 10.0 112.988 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -155.39 149.85 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.883 2.873 . . . . 10.0 107.123 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm -74.89 85.0 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 124.38 1.072 . . . . 10.0 110.852 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.94 -30.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.508 1.923 . . . . 10.0 112.412 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.33 57.39 4.24 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.961 1.704 . . . . 10.0 112.35 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t -69.24 122.16 84.47 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.142 1.377 . . . . 10.0 111.713 -170.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.93 172.39 14.26 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.06 -6.03 19.0 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.631 1.572 . . . . 10.0 114.751 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -99.93 15.3 27.57 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.536 1.934 . . . . 10.0 112.122 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.75 -88.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 128.494 2.95 . . . . 10.0 108.294 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -179.73 -44.68 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.399 2.28 . . . . 10.0 110.264 169.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.12 -0.792 . . . . 10.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -162.24 157.98 23.74 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 127.111 2.164 . . . . 10.0 112.215 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -95.37 -17.62 21.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.541 1.136 . . . . 10.0 113.43 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.05 -39.62 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -169.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -92.58 22.73 4.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.157 1.783 . . . . 10.0 113.955 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t -150.59 152.38 11.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 128.088 2.555 . . . . 10.0 107.018 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -77.53 83.62 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 120.655 -1.278 . . . . 10.0 110.401 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 t -146.72 -28.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.501 1.52 . . . . 10.0 111.293 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.72 155.17 39.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t -140.64 129.15 12.77 Favored Pre-proline 0 C--O 1.239 0.533 0 C-N-CA 127.531 2.332 . . . . 10.0 109.217 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -95.98 -174.22 3.05 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -73.19 -19.61 61.07 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.809 1.411 . . . . 10.0 114.809 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.49 -18.28 45.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.497 1.519 . . . . 10.0 112.701 174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.62 6.09 80.84 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.855 1.693 . . . . 10.0 114.294 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p -111.58 -36.7 5.42 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 -168.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.075 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -157.97 -173.97 4.61 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.478 1.511 . . . . 10.0 111.417 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.88 -171.13 3.37 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.055 1.342 . . . . 10.0 110.655 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.03 -33.63 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.308 -1.495 . . . . 10.0 108.855 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.78 -172.09 3.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.83 1.252 . . . . 10.0 111.199 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 t -85.54 61.82 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-O 123.368 1.556 . . . . 10.0 108.304 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 mm -142.76 154.96 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 129.415 3.086 . . . . 10.0 107.495 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.3 t -119.69 147.45 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.914 1.286 . . . . 10.0 110.726 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -48.45 130.42 16.73 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 10.0 113.542 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.88 125.48 55.07 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.455 1.902 . . . . 10.0 109.104 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.16 162.17 16.86 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.07 173.17 12.86 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.688 1.195 . . . . 10.0 111.842 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 56.47 27.23 11.88 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.467 1.507 . . . . 10.0 113.123 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.58 -169.19 41.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.704 2.573 . . . . 10.0 110.941 -172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -144.3 32.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.291 1.036 . . . . 10.0 111.366 -172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -161.85 162.2 29.25 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.983 1.713 . . . . 10.0 111.405 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.78 2.11 20.93 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.964 1.468 . . . . 10.0 114.964 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.95 -33.31 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.571 0.748 . . . . 10.0 112.849 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.29 21.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -151.31 155.16 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 127.48 2.312 . . . . 10.0 107.438 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.7 mt -85.33 83.27 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 120.696 -1.252 . . . . 10.0 109.692 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.82 90.5 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.649 1.58 . . . . 10.0 109.533 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -77.6 122.63 25.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.114 0.966 . . . . 10.0 110.083 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.57 128.54 35.84 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 127.199 2.2 . . . . 10.0 110.591 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -98.17 -172.41 2.35 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -78.89 -16.97 56.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.42 1.488 . . . . 10.0 113.568 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -86.31 -5.75 59.11 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.638 1.575 . . . . 10.0 111.971 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.51 15.71 66.5 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.237 1.398 . . . . 10.0 113.448 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p -88.56 -71.61 0.58 Allowed 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 123.904 0.882 . . . . 10.0 112.203 -169.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.887 -0.485 . . . . 10.0 111.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -168.07 162.42 13.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.64 1.576 . . . . 10.0 111.539 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.81 -8.46 34.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.737 1.215 . . . . 10.0 112.608 171.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -86.24 65.86 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 126.175 1.79 . . . . 10.0 110.129 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -171.41 -177.49 2.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.816 2.846 . . . . 10.0 109.888 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.97 23.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.075 -1.641 . . . . 10.0 112.538 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mm -140.39 99.55 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 129.651 3.18 . . . . 10.0 107.023 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 t -89.85 79.5 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.7 112.03 1.66 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.757 1.223 . . . . 10.0 113.183 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.49 130.94 24.48 Favored Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 128.981 2.912 . . . . 10.0 109.383 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.63 175.84 5.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.39 -23.55 65.58 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.52 -9.06 59.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.135 1.374 . . . . 10.0 112.078 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.31 1.3 64.12 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.561 1.553 . . . . 10.0 114.69 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p -82.29 -63.48 1.37 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 126.191 1.796 . . . . 10.0 114.571 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 N-CA-C 111.823 -0.511 . . . . 10.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -145.48 171.28 14.87 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.909 1.684 . . . . 10.0 112.737 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.41 12.32 25.31 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.992 2.117 . . . . 10.0 112.977 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.9 mt -48.8 136.51 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 121.072 -1.017 . . . . 10.0 109.745 170.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -83.65 33.72 0.48 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.499 0.925 . . . . 10.0 113.499 -172.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -139.33 25.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 127.761 2.424 . . . . 10.0 109.623 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -120.0 159.99 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 129.249 3.02 . . . . 10.0 109.1 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -81.11 73.18 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 122.354 1.073 . . . . 10.0 109.348 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.1 80.31 9.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.182 2.193 . . . . 10.0 110.972 -172.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.82 127.78 58.72 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.144 1.377 . . . . 10.0 111.389 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.413 ' HE1' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' NE2' ' HE1' ' A' ' 47' ' ' TRP . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -91.61 -176.12 4.4 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -75.73 -16.7 60.11 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.015 1.487 . . . . 10.0 115.015 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -90.16 -13.39 35.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.089 1.356 . . . . 10.0 111.552 171.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 3.27 79.78 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.48 1.991 . . . . 10.0 113.214 -172.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p -83.36 -42.43 17.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 -169.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -165.01 165.61 19.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.875 1.67 . . . . 10.0 112.282 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.41 154.49 21.13 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.059 0.944 . . . . 10.0 111.416 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mm -138.63 154.89 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.779 1.632 . . . . 10.0 109.634 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -79.35 36.72 0.31 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 120.101 -1.625 . . . . 10.0 113.529 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.1 t -147.67 160.13 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 129.89 3.276 . . . . 10.0 107.584 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.57 97.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.153 0.981 . . . . 10.0 109.604 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -146.15 -38.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.812 2.045 . . . . 10.0 110.525 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -80.63 161.3 24.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.058 0.943 . . . . 10.0 110.055 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -150.75 128.88 5.88 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.118 1.767 . . . . 10.0 109.055 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.47 -178.3 5.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -31.67 144.85 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.173 2.589 . . . . 10.0 115.575 169.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 71.89 -10.59 0.85 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 128.293 2.637 . . . . 10.0 112.543 -169.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.83 4.78 85.99 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.886 1.231 . . . . 10.0 114.761 174.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -97.89 -40.02 8.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -92.61 153.2 19.15 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.569 1.548 . . . . 10.0 111.772 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -81.95 -14.23 56.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.64 1.176 . . . . 10.0 113.503 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 mt -100.83 57.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 125.216 1.407 . . . . 10.0 109.46 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -152.5 -172.48 4.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.92 2.888 . . . . 10.0 109.781 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.98 45.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.089 -1.632 . . . . 10.0 111.0 168.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt -146.66 140.83 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 130.023 3.329 . . . . 10.0 107.334 -170.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.54 130.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.63 1.172 . . . . 10.0 109.279 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -37.26 126.79 1.01 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.246 1.818 . . . . 10.0 114.377 173.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.01 121.6 45.99 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 126.627 1.971 . . . . 10.0 110.761 -173.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -106.89 -172.15 2.03 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -67.09 158.54 30.87 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.542 1.137 . . . . 10.0 112.493 169.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 65.16 6.67 3.66 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.034 1.734 . . . . 10.0 112.612 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.58 32.45 31.61 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.827 1.679 . . . . 10.0 112.69 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -84.08 -69.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.198 0.999 . . . . 10.0 113.191 -168.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 110.007 -1.237 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -157.97 -176.28 5.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.337 1.455 . . . . 10.0 110.691 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.04 1.6 39.25 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.042 1.737 . . . . 10.0 114.621 -173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mm -77.0 -35.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.203 1.001 . . . . 10.0 112.928 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -152.12 25.41 0.63 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.683 1.364 . . . . 10.0 114.683 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.8 t -144.57 101.92 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.763 2.025 . . . . 10.0 108.17 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.7 mt -83.17 75.64 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.878 1.323 . . . . 10.0 109.933 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -156.2 -44.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 128.63 2.772 . . . . 10.0 108.419 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -76.56 139.69 40.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.48 1.512 . . . . 10.0 111.911 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.18 109.73 3.97 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.601 1.961 . . . . 10.0 108.378 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.5 163.85 35.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.03 172.67 8.16 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.249 1.82 . . . . 10.0 113.046 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 50.05 33.61 7.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.164 1.785 . . . . 10.0 111.803 -170.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.36 -128.85 1.62 Allowed Glycine 0 N--CA 1.471 0.967 0 C-N-CA 126.269 1.89 . . . . 10.0 110.178 -171.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t -164.58 -55.83 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.413 1.085 . . . . 10.0 112.436 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.61 -0.596 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -157.21 47.46 0.41 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.158 1.383 . . . . 10.0 111.727 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.77 13.48 0.64 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.904 -1.122 . . . . 10.0 113.956 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.64 -30.38 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.082 1.753 . . . . 10.0 111.894 -172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -148.56 24.28 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.192 0.996 . . . . 10.0 112.442 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -153.75 153.68 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 129.026 2.931 . . . . 10.0 106.767 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -89.78 112.6 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.746 0.819 . . . . 10.0 109.523 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.92 -41.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 124.516 1.126 . . . . 10.0 111.565 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m120 59.25 166.35 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 129.92 3.288 . . . . 10.0 114.483 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -143.68 126.57 8.8 Favored Pre-proline 0 C--O 1.244 0.796 0 C-N-CA 127.912 2.485 . . . . 10.0 108.689 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -89.68 -178.5 5.55 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.16 -12.74 57.99 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -81.74 -14.15 56.87 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.703 -1.248 . . . . 10.0 111.789 170.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.65 15.21 81.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.047 1.784 . . . . 10.0 113.351 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -99.91 -61.82 1.32 Allowed 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.97 1.308 . . . . 10.0 113.904 -169.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 111.335 -0.706 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.4 161.76 14.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.797 2.039 . . . . 10.0 112.165 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.87 -45.54 10.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.808 0.843 . . . . 10.0 112.532 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.1 mm -147.94 -54.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 128.39 2.676 . . . . 10.0 110.072 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -156.74 27.95 0.32 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.289 2.236 . . . . 10.0 112.11 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 t -153.14 147.01 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.361 2.665 . . . . 10.0 108.068 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mm -83.52 95.19 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 123.734 0.814 . . . . 10.0 109.879 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.75 52.47 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.861 1.664 . . . . 10.0 108.718 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -80.37 138.45 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.193 0.997 . . . . 10.0 110.551 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t -127.42 116.82 21.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.3 1.84 . . . . 10.0 110.047 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -91.09 -172.65 3.39 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -79.9 -17.37 53.26 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.184 1.55 . . . . 10.0 115.184 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.76 -16.02 40.22 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.105 1.362 . . . . 10.0 112.066 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.58 80.21 Favored Glycine 0 CA--C 1.546 1.97 0 C-N-CA 125.643 1.592 . . . . 10.0 113.377 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -80.88 -46.86 14.59 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -169.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -94.2 140.92 29.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.087 1.355 . . . . 10.0 110.437 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -152.01 176.23 11.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.456 1.502 . . . . 10.0 111.91 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 mm -118.13 -30.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.675 1.59 . . . . 10.0 112.039 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -94.91 -175.73 3.64 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.489 1.516 . . . . 10.0 111.741 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.0 65.9 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 CA-C-O 122.483 1.135 . . . . 10.0 109.065 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mt -149.75 157.48 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 129.453 3.101 . . . . 10.0 107.551 -169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.7 t -102.17 -33.86 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.575 -1.328 . . . . 10.0 112.188 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -161.74 155.16 21.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.623 1.969 . . . . 10.0 111.571 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -143.75 125.13 8.13 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 127.943 2.497 . . . . 10.0 110.653 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.57 155.84 25.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -82.75 -179.95 7.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.244 1.417 . . . . 10.0 113.56 -174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.299 3.9 p30 51.84 28.98 5.47 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 123.305 1.526 . . . . 10.0 111.914 -169.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.35 -159.97 32.56 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 129.94 3.638 . . . . 10.0 110.14 -168.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.0 46.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.791 1.236 . . . . 10.0 112.089 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.031 -0.427 . . . . 10.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -157.12 161.99 39.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.948 2.099 . . . . 10.0 111.514 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.18 -9.01 24.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.891 1.276 . . . . 10.0 113.297 -175.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -92.16 -39.34 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 120.815 -1.178 . . . . 10.0 113.567 -169.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -159.23 31.83 0.2 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 122.554 1.169 . . . . 10.0 114.125 -168.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.3 151.58 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 10.0 108.939 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm -76.39 80.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 122.743 1.258 . . . . 10.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 t -147.19 -39.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.933 2.493 . . . . 10.0 109.915 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -97.2 129.89 44.5 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.514 1.926 . . . . 10.0 111.68 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.12 119.46 5.2 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 126.876 2.07 . . . . 10.0 107.522 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -88.98 -178.6 5.75 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -76.29 -14.01 60.13 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 120.85 -1.156 . . . . 10.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -87.25 -11.18 50.46 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.841 1.657 . . . . 10.0 112.175 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.51 10.11 70.15 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.892 1.711 . . . . 10.0 113.635 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p -92.05 -65.97 0.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 10.0 112.666 -169.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.404 -0.679 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -152.12 144.52 24.07 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.927 2.091 . . . . 10.0 110.717 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -91.19 29.67 1.38 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.964 1.306 . . . . 10.0 111.932 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.38 147.73 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.227 1.811 . . . . 10.0 109.504 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -77.32 26.91 0.16 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.41 23.5 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 127.179 2.191 . . . . 10.0 110.298 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.7 mt -140.53 150.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.313 2.245 . . . . 10.0 108.627 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.88 127.49 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.447 0.699 . . . . 10.0 111.081 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.12 104.76 10.9 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 124.266 1.026 . . . . 10.0 109.21 169.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -80.27 125.45 81.27 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.554 1.541 . . . . 10.0 110.902 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.86 160.38 33.68 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -90.48 176.01 6.86 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.975 1.71 . . . . 10.0 111.394 170.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.94 30.78 20.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.795 1.238 . . . . 10.0 112.822 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.03 -116.13 0.49 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.119 2.295 . . . . 10.0 109.768 -173.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -177.72 -32.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.592 1.557 . . . . 10.0 113.134 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 109.981 -1.248 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.97 35.91 0.71 Allowed 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 123.281 1.515 . . . . 10.0 115.005 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.17 56.75 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.558 2.343 . . . . 10.0 108.396 168.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -68.1 161.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.93 1.692 . . . . 10.0 109.72 -174.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -75.95 32.31 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.331 -1.481 . . . . 10.0 112.629 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.1 t -155.17 157.99 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 130.105 3.362 . . . . 10.0 106.663 -172.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.3 mt -68.57 103.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.06 -1.025 . . . . 10.0 109.114 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.1 t -141.59 -42.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 126.115 1.766 . . . . 10.0 110.275 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.2 157.43 30.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.014 0.925 . . . . 10.0 111.267 170.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.11 114.23 14.95 Favored Pre-proline 0 C--O 1.242 0.665 0 C-N-CA 125.555 1.542 . . . . 10.0 110.066 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -84.18 -173.57 4.79 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -72.98 -19.96 61.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.99 1.316 . . . . 10.0 114.266 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -90.06 -4.37 57.41 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.376 -1.452 . . . . 10.0 112.432 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.04 76.22 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.262 0.934 . . . . 10.0 113.64 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p -95.54 -62.16 1.34 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.992 -0.338 . . . . 10.0 112.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -158.83 161.97 36.95 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.972 1.709 . . . . 10.0 111.144 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.75 147.42 35.36 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 122.715 0.406 . . . . 10.0 109.989 170.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.1 mm -114.27 -76.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.793 -1.192 . . . . 10.0 111.356 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -164.58 25.74 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 127.66 2.384 . . . . 10.0 111.709 171.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -156.67 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 130.636 3.574 . . . . 10.0 106.002 -169.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.35 103.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.914 0.886 . . . . 10.0 110.524 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.3 t -149.05 99.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 103.909 -2.626 . . . . 10.0 103.909 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.41 157.15 34.57 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -147.86 131.72 8.45 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.283 1.833 . . . . 10.0 110.01 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -89.03 -179.47 5.93 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -83.44 -12.28 56.57 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.669 1.359 . . . . 10.0 114.669 -176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -86.39 -14.08 44.47 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.566 1.146 . . . . 10.0 112.897 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.8 83.77 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.575 1.559 . . . . 10.0 112.959 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p -103.61 -48.02 4.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 118.094 -0.955 . . . . 10.0 109.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.373 0.13 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.918 -0.563 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 118.797 -0.621 . . . . 10.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.554 1.122 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 118.718 -0.658 . . . . 10.0 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.239 0.533 0 CA-C-O 117.99 -1.005 . . . . 10.0 109.217 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 111.366 0.135 . . . . 10.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 . . . . . 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 112.203 0.445 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 117.413 -1.279 . . . . 10.0 111.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 117.685 -1.15 . . . . 10.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 119.255 -0.402 . . . . 10.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 . . . . . 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.452 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' H ' ' HA ' ' A' ' 78' ' ' ASP . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.412 ' HA ' ' C ' ' A' ' 41' ' ' PRO . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' H ' ' A' ' 26' ' ' ASN . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.244 0.796 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 113.904 1.075 . . . . 10.0 113.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 119.325 -0.369 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CD1' HD11 ' A' ' 72' ' ' LEU . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 . . . . . 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 63' ' ' TYR . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 118.874 -0.584 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.822 0.82 . . . . 10.0 112.089 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 17' ' ' ARG . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 119.058 -0.496 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.574 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' HD11 ' A' ' 33' ' ' LEU . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.242 0.665 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 112.339 -0.304 . . . . 10.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -160.41 162.49 33.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.18 -55.71 4.57 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.346 1.058 . . . . 10.0 111.262 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mt -153.88 -49.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 10.0 109.826 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -147.2 30.26 0.95 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.029 1.732 . . . . 10.0 112.893 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -146.94 136.57 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.488 1.915 . . . . 10.0 108.751 -175.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.36 93.52 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 t -145.71 146.02 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.621 2.368 . . . . 10.0 107.389 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -128.25 111.79 13.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.335 1.054 . . . . 10.0 108.967 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.83 118.33 63.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.226 1.81 . . . . 10.0 109.02 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.18 157.95 17.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.26 168.81 18.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.184 0.993 . . . . 10.0 112.033 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.0 28.95 18.37 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 126.154 1.782 . . . . 10.0 112.074 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.82 -169.89 42.68 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 127.647 2.546 . . . . 10.0 110.838 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m -143.05 24.63 1.81 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.047 1.339 . . . . 10.0 110.893 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.855 -0.098 . . . . 10.0 112.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -160.98 145.95 14.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -81.4 122.8 27.95 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.764 0.826 . . . . 10.0 110.486 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.31 -14.93 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.073 1.349 . . . . 10.0 112.182 -172.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -160.58 -157.64 0.55 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.097 2.159 . . . . 10.0 107.64 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.27 53.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 126.281 1.832 . . . . 10.0 109.814 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.9 mt -150.14 111.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 129.216 3.006 . . . . 10.0 105.04 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -87.43 142.16 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.4 1.08 . . . . 10.0 109.555 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -90.31 99.51 12.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.693 1.197 . . . . 10.0 110.522 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -100.75 122.54 48.86 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 127.073 2.149 . . . . 10.0 110.057 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -98.95 176.41 5.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -106.85 -26.12 11.38 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -172.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.19 26.74 2.75 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.9 2.08 . . . . 10.0 112.164 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.4 -158.06 25.11 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 129.043 3.211 . . . . 10.0 107.886 -171.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -152.04 17.22 0.66 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -170.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -157.95 154.36 27.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.779 1.232 . . . . 10.0 110.249 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.17 -10.79 54.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.552 1.141 . . . . 10.0 113.53 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.2 mm -100.53 -24.85 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.214 1.406 . . . . 10.0 114.025 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.36 29.24 0.34 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.542 1.682 . . . . 10.0 115.542 -169.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -134.8 125.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.224 1.81 . . . . 10.0 109.59 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 mm -84.74 77.25 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 122.709 1.242 . . . . 10.0 111.625 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -151.83 -45.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 127.844 2.457 . . . . 10.0 109.756 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -81.31 146.01 30.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.112 1.365 . . . . 10.0 112.422 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.85 120.93 4.35 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 127.457 2.303 . . . . 10.0 109.87 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -95.46 -179.89 4.92 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -113.81 148.08 37.23 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.701 1.601 . . . . 10.0 108.984 168.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 56.02 29.68 14.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 123.118 1.437 . . . . 10.0 112.085 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.96 173.51 46.31 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 129.754 3.55 . . . . 10.0 108.856 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -144.09 28.8 1.36 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.97 1.385 . . . . 10.0 113.252 -169.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -163.38 171.18 16.41 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.361 1.864 . . . . 10.0 112.309 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -78.92 -17.7 55.06 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 mm -80.45 -28.78 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -134.13 14.91 3.86 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -151.67 101.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.369 1.868 . . . . 10.0 108.017 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mm -82.49 75.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.787 1.28 . . . . 10.0 110.588 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.9 t -156.04 -38.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 129.436 3.094 . . . . 10.0 109.506 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -78.25 163.25 25.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.604 1.162 . . . . 10.0 112.121 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -149.93 124.27 4.64 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.44 1.896 . . . . 10.0 108.652 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -85.62 -175.65 5.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -78.63 -13.24 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -90.43 -11.69 39.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.353 1.461 . . . . 10.0 111.845 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.63 4.23 87.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.429 1.014 . . . . 10.0 113.015 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p -89.5 -55.6 3.59 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.775 -0.53 . . . . 10.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -157.72 168.5 27.04 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.977 1.311 . . . . 10.0 113.344 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.66 151.31 20.25 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 127.766 2.426 . . . . 10.0 109.984 170.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.19 149.06 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.696 1.198 . . . . 10.0 111.208 -169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -82.95 31.12 0.43 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.575 -1.328 . . . . 10.0 112.988 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -155.39 149.85 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.883 2.873 . . . . 10.0 107.123 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm -74.89 85.0 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 124.38 1.072 . . . . 10.0 110.852 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.94 -30.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.508 1.923 . . . . 10.0 112.412 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.33 57.39 4.24 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.961 1.704 . . . . 10.0 112.35 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t -69.24 122.16 84.47 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.142 1.377 . . . . 10.0 111.713 -170.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.93 172.39 14.26 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.06 -6.03 19.0 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.631 1.572 . . . . 10.0 114.751 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -99.93 15.3 27.57 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.536 1.934 . . . . 10.0 112.122 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.75 -88.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 128.494 2.95 . . . . 10.0 108.294 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -179.73 -44.68 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.399 2.28 . . . . 10.0 110.264 169.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.12 -0.792 . . . . 10.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -162.24 157.98 23.74 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 127.111 2.164 . . . . 10.0 112.215 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -95.37 -17.62 21.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.541 1.136 . . . . 10.0 113.43 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.05 -39.62 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -169.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -92.58 22.73 4.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.157 1.783 . . . . 10.0 113.955 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t -150.59 152.38 11.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 128.088 2.555 . . . . 10.0 107.018 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -77.53 83.62 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 120.655 -1.278 . . . . 10.0 110.401 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 t -146.72 -28.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.501 1.52 . . . . 10.0 111.293 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.72 155.17 39.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t -140.64 129.15 12.77 Favored Pre-proline 0 C--O 1.239 0.533 0 C-N-CA 127.531 2.332 . . . . 10.0 109.217 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -95.98 -174.22 3.05 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -73.19 -19.61 61.07 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.809 1.411 . . . . 10.0 114.809 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.49 -18.28 45.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.497 1.519 . . . . 10.0 112.701 174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.62 6.09 80.84 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.855 1.693 . . . . 10.0 114.294 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p -111.58 -36.7 5.42 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 -168.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.075 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -157.97 -173.97 4.61 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.478 1.511 . . . . 10.0 111.417 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.88 -171.13 3.37 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.055 1.342 . . . . 10.0 110.655 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.03 -33.63 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.308 -1.495 . . . . 10.0 108.855 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.78 -172.09 3.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.83 1.252 . . . . 10.0 111.199 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 t -85.54 61.82 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-O 123.368 1.556 . . . . 10.0 108.304 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 mm -142.76 154.96 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 129.415 3.086 . . . . 10.0 107.495 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.3 t -119.69 147.45 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.914 1.286 . . . . 10.0 110.726 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -48.45 130.42 16.73 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 10.0 113.542 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.88 125.48 55.07 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.455 1.902 . . . . 10.0 109.104 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.16 162.17 16.86 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.07 173.17 12.86 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.688 1.195 . . . . 10.0 111.842 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 56.47 27.23 11.88 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.467 1.507 . . . . 10.0 113.123 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.58 -169.19 41.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.704 2.573 . . . . 10.0 110.941 -172.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -144.3 32.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.291 1.036 . . . . 10.0 111.366 -172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -161.85 162.2 29.25 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.983 1.713 . . . . 10.0 111.405 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.78 2.11 20.93 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.964 1.468 . . . . 10.0 114.964 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.95 -33.31 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.571 0.748 . . . . 10.0 112.849 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.29 21.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -151.31 155.16 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 127.48 2.312 . . . . 10.0 107.438 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.7 mt -85.33 83.27 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 120.696 -1.252 . . . . 10.0 109.692 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.82 90.5 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.649 1.58 . . . . 10.0 109.533 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -77.6 122.63 25.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.114 0.966 . . . . 10.0 110.083 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.57 128.54 35.84 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 127.199 2.2 . . . . 10.0 110.591 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -98.17 -172.41 2.35 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -78.89 -16.97 56.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.42 1.488 . . . . 10.0 113.568 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -86.31 -5.75 59.11 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.638 1.575 . . . . 10.0 111.971 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.51 15.71 66.5 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.237 1.398 . . . . 10.0 113.448 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p -88.56 -71.61 0.58 Allowed 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 123.904 0.882 . . . . 10.0 112.203 -169.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.887 -0.485 . . . . 10.0 111.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -168.07 162.42 13.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.64 1.576 . . . . 10.0 111.539 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.81 -8.46 34.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.737 1.215 . . . . 10.0 112.608 171.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -86.24 65.86 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 126.175 1.79 . . . . 10.0 110.129 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -171.41 -177.49 2.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.816 2.846 . . . . 10.0 109.888 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.97 23.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.075 -1.641 . . . . 10.0 112.538 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mm -140.39 99.55 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 129.651 3.18 . . . . 10.0 107.023 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 t -89.85 79.5 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.7 112.03 1.66 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.757 1.223 . . . . 10.0 113.183 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.49 130.94 24.48 Favored Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 128.981 2.912 . . . . 10.0 109.383 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.63 175.84 5.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.39 -23.55 65.58 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.52 -9.06 59.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.135 1.374 . . . . 10.0 112.078 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.31 1.3 64.12 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.561 1.553 . . . . 10.0 114.69 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p -82.29 -63.48 1.37 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 126.191 1.796 . . . . 10.0 114.571 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 N-CA-C 111.823 -0.511 . . . . 10.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -145.48 171.28 14.87 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.909 1.684 . . . . 10.0 112.737 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.41 12.32 25.31 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.992 2.117 . . . . 10.0 112.977 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.9 mt -48.8 136.51 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 121.072 -1.017 . . . . 10.0 109.745 170.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -83.65 33.72 0.48 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.499 0.925 . . . . 10.0 113.499 -172.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -139.33 25.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 127.761 2.424 . . . . 10.0 109.623 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -120.0 159.99 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 129.249 3.02 . . . . 10.0 109.1 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -81.11 73.18 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 122.354 1.073 . . . . 10.0 109.348 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.1 80.31 9.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.182 2.193 . . . . 10.0 110.972 -172.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.82 127.78 58.72 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.144 1.377 . . . . 10.0 111.389 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -91.61 -176.12 4.4 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -75.73 -16.7 60.11 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.015 1.487 . . . . 10.0 115.015 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -90.16 -13.39 35.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.089 1.356 . . . . 10.0 111.552 171.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 3.27 79.78 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.48 1.991 . . . . 10.0 113.214 -172.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p -83.36 -42.43 17.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 -169.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -165.01 165.61 19.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.875 1.67 . . . . 10.0 112.282 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.41 154.49 21.13 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.059 0.944 . . . . 10.0 111.416 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mm -138.63 154.89 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.779 1.632 . . . . 10.0 109.634 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -79.35 36.72 0.31 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 120.101 -1.625 . . . . 10.0 113.529 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.1 t -147.67 160.13 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 129.89 3.276 . . . . 10.0 107.584 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.57 97.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.153 0.981 . . . . 10.0 109.604 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -146.15 -38.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.812 2.045 . . . . 10.0 110.525 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -80.63 161.3 24.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.058 0.943 . . . . 10.0 110.055 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -150.75 128.88 5.88 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.118 1.767 . . . . 10.0 109.055 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.47 -178.3 5.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -31.67 144.85 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.173 2.589 . . . . 10.0 115.575 169.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 71.89 -10.59 0.85 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 128.293 2.637 . . . . 10.0 112.543 -169.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.83 4.78 85.99 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.886 1.231 . . . . 10.0 114.761 174.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -97.89 -40.02 8.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -92.61 153.2 19.15 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.569 1.548 . . . . 10.0 111.772 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -81.95 -14.23 56.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.64 1.176 . . . . 10.0 113.503 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 mt -100.83 57.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 125.216 1.407 . . . . 10.0 109.46 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -152.5 -172.48 4.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.92 2.888 . . . . 10.0 109.781 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.98 45.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.089 -1.632 . . . . 10.0 111.0 168.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt -146.66 140.83 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 130.023 3.329 . . . . 10.0 107.334 -170.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.54 130.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.63 1.172 . . . . 10.0 109.279 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -37.26 126.79 1.01 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.246 1.818 . . . . 10.0 114.377 173.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.01 121.6 45.99 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 126.627 1.971 . . . . 10.0 110.761 -173.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -106.89 -172.15 2.03 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -67.09 158.54 30.87 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.542 1.137 . . . . 10.0 112.493 169.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 65.16 6.67 3.66 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.034 1.734 . . . . 10.0 112.612 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.58 32.45 31.61 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.827 1.679 . . . . 10.0 112.69 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -84.08 -69.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.198 0.999 . . . . 10.0 113.191 -168.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 110.007 -1.237 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -157.97 -176.28 5.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.337 1.455 . . . . 10.0 110.691 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.04 1.6 39.25 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.042 1.737 . . . . 10.0 114.621 -173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mm -77.0 -35.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.203 1.001 . . . . 10.0 112.928 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -152.12 25.41 0.63 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.683 1.364 . . . . 10.0 114.683 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.8 t -144.57 101.92 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.763 2.025 . . . . 10.0 108.17 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.7 mt -83.17 75.64 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.878 1.323 . . . . 10.0 109.933 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -156.2 -44.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 128.63 2.772 . . . . 10.0 108.419 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -76.56 139.69 40.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.48 1.512 . . . . 10.0 111.911 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.18 109.73 3.97 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.601 1.961 . . . . 10.0 108.378 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' H ' ' HA ' ' A' ' 78' ' ' ASP . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.412 ' HA ' ' C ' ' A' ' 41' ' ' PRO . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.5 163.85 35.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.03 172.67 8.16 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.249 1.82 . . . . 10.0 113.046 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 50.05 33.61 7.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.164 1.785 . . . . 10.0 111.803 -170.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.36 -128.85 1.62 Allowed Glycine 0 N--CA 1.471 0.967 0 C-N-CA 126.269 1.89 . . . . 10.0 110.178 -171.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t -164.58 -55.83 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.413 1.085 . . . . 10.0 112.436 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' H ' ' A' ' 26' ' ' ASN . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.61 -0.596 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -157.21 47.46 0.41 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.158 1.383 . . . . 10.0 111.727 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.77 13.48 0.64 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.904 -1.122 . . . . 10.0 113.956 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.64 -30.38 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.082 1.753 . . . . 10.0 111.894 -172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -148.56 24.28 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.192 0.996 . . . . 10.0 112.442 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -153.75 153.68 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 129.026 2.931 . . . . 10.0 106.767 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -89.78 112.6 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.746 0.819 . . . . 10.0 109.523 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.92 -41.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 124.516 1.126 . . . . 10.0 111.565 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m120 59.25 166.35 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 129.92 3.288 . . . . 10.0 114.483 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -143.68 126.57 8.8 Favored Pre-proline 0 C--O 1.244 0.796 0 C-N-CA 127.912 2.485 . . . . 10.0 108.689 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -89.68 -178.5 5.55 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.16 -12.74 57.99 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -81.74 -14.15 56.87 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.703 -1.248 . . . . 10.0 111.789 170.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.65 15.21 81.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.047 1.784 . . . . 10.0 113.351 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -99.91 -61.82 1.32 Allowed 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.97 1.308 . . . . 10.0 113.904 -169.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 111.335 -0.706 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.4 161.76 14.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.797 2.039 . . . . 10.0 112.165 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.87 -45.54 10.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.808 0.843 . . . . 10.0 112.532 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.1 mm -147.94 -54.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 128.39 2.676 . . . . 10.0 110.072 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -156.74 27.95 0.32 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.289 2.236 . . . . 10.0 112.11 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 t -153.14 147.01 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.361 2.665 . . . . 10.0 108.068 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mm -83.52 95.19 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 123.734 0.814 . . . . 10.0 109.879 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.75 52.47 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.861 1.664 . . . . 10.0 108.718 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -80.37 138.45 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.193 0.997 . . . . 10.0 110.551 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t -127.42 116.82 21.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.3 1.84 . . . . 10.0 110.047 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CD1' HD11 ' A' ' 72' ' ' LEU . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -91.09 -172.65 3.39 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -79.9 -17.37 53.26 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.184 1.55 . . . . 10.0 115.184 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.76 -16.02 40.22 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.105 1.362 . . . . 10.0 112.066 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.58 80.21 Favored Glycine 0 CA--C 1.546 1.97 0 C-N-CA 125.643 1.592 . . . . 10.0 113.377 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -80.88 -46.86 14.59 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -169.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 63' ' ' TYR . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -94.2 140.92 29.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.087 1.355 . . . . 10.0 110.437 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -152.01 176.23 11.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.456 1.502 . . . . 10.0 111.91 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 mm -118.13 -30.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.675 1.59 . . . . 10.0 112.039 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -94.91 -175.73 3.64 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.489 1.516 . . . . 10.0 111.741 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.0 65.9 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 CA-C-O 122.483 1.135 . . . . 10.0 109.065 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mt -149.75 157.48 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 129.453 3.101 . . . . 10.0 107.551 -169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.7 t -102.17 -33.86 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.575 -1.328 . . . . 10.0 112.188 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -161.74 155.16 21.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.623 1.969 . . . . 10.0 111.571 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -143.75 125.13 8.13 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 127.943 2.497 . . . . 10.0 110.653 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.57 155.84 25.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -82.75 -179.95 7.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.244 1.417 . . . . 10.0 113.56 -174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.299 3.9 p30 51.84 28.98 5.47 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 123.305 1.526 . . . . 10.0 111.914 -169.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.35 -159.97 32.56 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 129.94 3.638 . . . . 10.0 110.14 -168.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.0 46.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.791 1.236 . . . . 10.0 112.089 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.031 -0.427 . . . . 10.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -157.12 161.99 39.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.948 2.099 . . . . 10.0 111.514 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.18 -9.01 24.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.891 1.276 . . . . 10.0 113.297 -175.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -92.16 -39.34 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 120.815 -1.178 . . . . 10.0 113.567 -169.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -159.23 31.83 0.2 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 122.554 1.169 . . . . 10.0 114.125 -168.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.3 151.58 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 10.0 108.939 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm -76.39 80.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 122.743 1.258 . . . . 10.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 t -147.19 -39.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.933 2.493 . . . . 10.0 109.915 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -97.2 129.89 44.5 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.514 1.926 . . . . 10.0 111.68 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.12 119.46 5.2 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 126.876 2.07 . . . . 10.0 107.522 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 17' ' ' ARG . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -88.98 -178.6 5.75 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -76.29 -14.01 60.13 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 120.85 -1.156 . . . . 10.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -87.25 -11.18 50.46 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.841 1.657 . . . . 10.0 112.175 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.51 10.11 70.15 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.892 1.711 . . . . 10.0 113.635 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p -92.05 -65.97 0.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 10.0 112.666 -169.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.404 -0.679 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -152.12 144.52 24.07 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.927 2.091 . . . . 10.0 110.717 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -91.19 29.67 1.38 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.964 1.306 . . . . 10.0 111.932 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.38 147.73 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.227 1.811 . . . . 10.0 109.504 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -77.32 26.91 0.16 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.41 23.5 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 127.179 2.191 . . . . 10.0 110.298 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.7 mt -140.53 150.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.313 2.245 . . . . 10.0 108.627 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.88 127.49 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.447 0.699 . . . . 10.0 111.081 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.12 104.76 10.9 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 124.266 1.026 . . . . 10.0 109.21 169.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -80.27 125.45 81.27 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.554 1.541 . . . . 10.0 110.902 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.86 160.38 33.68 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -90.48 176.01 6.86 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.975 1.71 . . . . 10.0 111.394 170.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.94 30.78 20.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.795 1.238 . . . . 10.0 112.822 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.03 -116.13 0.49 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.119 2.295 . . . . 10.0 109.768 -173.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -177.72 -32.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.592 1.557 . . . . 10.0 113.134 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.574 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' HD11 ' A' ' 33' ' ' LEU . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 109.981 -1.248 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.97 35.91 0.71 Allowed 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 123.281 1.515 . . . . 10.0 115.005 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.17 56.75 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.558 2.343 . . . . 10.0 108.396 168.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -68.1 161.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.93 1.692 . . . . 10.0 109.72 -174.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -75.95 32.31 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.331 -1.481 . . . . 10.0 112.629 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.1 t -155.17 157.99 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 130.105 3.362 . . . . 10.0 106.663 -172.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.3 mt -68.57 103.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.06 -1.025 . . . . 10.0 109.114 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.1 t -141.59 -42.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 126.115 1.766 . . . . 10.0 110.275 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.2 157.43 30.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.014 0.925 . . . . 10.0 111.267 170.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.11 114.23 14.95 Favored Pre-proline 0 C--O 1.242 0.665 0 C-N-CA 125.555 1.542 . . . . 10.0 110.066 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -84.18 -173.57 4.79 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -72.98 -19.96 61.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.99 1.316 . . . . 10.0 114.266 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -90.06 -4.37 57.41 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.376 -1.452 . . . . 10.0 112.432 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.04 76.22 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.262 0.934 . . . . 10.0 113.64 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p -95.54 -62.16 1.34 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.992 -0.338 . . . . 10.0 112.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -158.83 161.97 36.95 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.972 1.709 . . . . 10.0 111.144 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.75 147.42 35.36 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 122.715 0.406 . . . . 10.0 109.989 170.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.1 mm -114.27 -76.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.793 -1.192 . . . . 10.0 111.356 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -164.58 25.74 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 127.66 2.384 . . . . 10.0 111.709 171.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -156.67 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 130.636 3.574 . . . . 10.0 106.002 -169.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.35 103.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.914 0.886 . . . . 10.0 110.524 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.3 t -149.05 99.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 103.909 -2.626 . . . . 10.0 103.909 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.41 157.15 34.57 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -147.86 131.72 8.45 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.283 1.833 . . . . 10.0 110.01 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -89.03 -179.47 5.93 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -83.44 -12.28 56.57 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.669 1.359 . . . . 10.0 114.669 -176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -86.39 -14.08 44.47 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.566 1.146 . . . . 10.0 112.897 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.8 83.77 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.575 1.559 . . . . 10.0 112.959 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p -103.61 -48.02 4.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 118.094 -0.955 . . . . 10.0 109.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.373 0.13 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 118.918 -0.563 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 118.797 -0.621 . . . . 10.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.554 1.122 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 118.718 -0.658 . . . . 10.0 111.713 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.239 0.533 0 CA-C-O 117.99 -1.005 . . . . 10.0 109.217 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 111.366 0.135 . . . . 10.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 . . . . . 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 112.203 0.445 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 117.413 -1.279 . . . . 10.0 111.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 117.685 -1.15 . . . . 10.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 119.255 -0.402 . . . . 10.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 . . . . . 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.452 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' H ' ' HA ' ' A' ' 78' ' ' ASP . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.412 ' HA ' ' C ' ' A' ' 41' ' ' PRO . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' H ' ' A' ' 26' ' ' ASN . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.244 0.796 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 113.904 1.075 . . . . 10.0 113.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 119.325 -0.369 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CD1' HD11 ' A' ' 72' ' ' LEU . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 . . . . . 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 63' ' ' TYR . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 118.874 -0.584 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.822 0.82 . . . . 10.0 112.089 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 17' ' ' ARG . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 119.058 -0.496 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' HD11 ' A' ' 33' ' ' LEU . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.242 0.665 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 112.339 -0.304 . . . . 10.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -160.41 162.49 33.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.18 -55.71 4.57 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.346 1.058 . . . . 10.0 111.262 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mt -153.88 -49.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 10.0 109.826 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -147.2 30.26 0.95 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.029 1.732 . . . . 10.0 112.893 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -146.94 136.57 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.488 1.915 . . . . 10.0 108.751 -175.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.36 93.52 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 t -145.71 146.02 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.621 2.368 . . . . 10.0 107.389 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -128.25 111.79 13.79 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.335 1.054 . . . . 10.0 108.967 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.83 118.33 63.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.226 1.81 . . . . 10.0 109.02 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.42 155.38 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.628 3.552 . . . . 10.0 112.213 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.09 159.75 26.84 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.872 1.715 . . . . 10.0 111.041 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -138.48 103.72 4.96 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.318 1.447 . . . . 10.0 107.451 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.07 144.6 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.158 0.983 . . . . 10.0 109.173 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.17 151.07 32.52 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 175.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.14 95.38 8.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.136 0.975 . . . . 10.0 109.734 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -32.69 -42.23 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 128.099 2.56 . . . . 10.0 116.633 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -139.59 9.9 2.45 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.448 1.648 . . . . 10.0 115.448 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 t 73.76 -40.75 0.47 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.894 2.478 . . . . 10.0 114.785 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.7 m -141.19 117.55 10.77 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.492 1.517 . . . . 10.0 110.238 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 79.6 mmm -95.38 167.86 11.07 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.667 1.587 . . . . 10.0 110.59 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -150.38 158.09 43.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.854 0.862 . . . . 10.0 110.467 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.92 19.45 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -88.12 120.97 29.98 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.384 1.074 . . . . 10.0 109.14 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.41 172.31 11.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.344 1.057 . . . . 10.0 113.807 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 m120 65.89 6.9 4.26 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.43 2.292 . . . . 10.0 114.343 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.53 -11.17 24.05 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m 59.99 27.19 16.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.587 1.155 . . . . 10.0 113.267 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -81.57 164.52 21.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.353 1.061 . . . . 10.0 112.597 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -104.79 146.4 29.02 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.006 1.322 . . . . 10.0 109.712 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.4 t -144.04 136.34 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.742 1.217 . . . . 10.0 112.086 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -104.46 144.79 31.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.712 0.805 . . . . 10.0 111.461 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.61 167.95 28.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.972 1.309 . . . . 10.0 111.714 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -165.8 151.52 9.09 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.391 1.626 . . . . 10.0 115.391 -169.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.9 t -129.2 83.73 2.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.266 1.826 . . . . 10.0 106.337 168.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.57 141.52 44.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.551 1.315 . . . . 10.0 114.551 -167.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.96 157.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.768 1.227 . . . . 10.0 113.269 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.8 161.74 40.6 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.426 1.49 . . . . 10.0 112.048 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.76 165.9 23.88 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 126.426 1.965 . . . . 10.0 111.614 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -143.97 118.74 6.07 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 118.207 1.003 . . . . 10.0 111.809 -176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 163.29 20.14 Favored 'Cis proline' 0 CA--C 1.543 0.938 0 CA-C-N 120.444 1.194 . . . . 10.0 114.132 -8.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -43.98 139.54 2.98 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 115.665 1.728 . . . . 10.0 115.665 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.5 169.7 8.12 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.095 1.863 . . . . 10.0 113.665 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -120.69 144.4 48.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.756 2.422 . . . . 10.0 107.905 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.4 157.69 34.48 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.6 p -154.71 165.11 37.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.098 1.759 . . . . 10.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -155.53 160.1 40.26 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.7 p -121.28 155.62 34.27 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.823 1.249 . . . . 10.0 114.001 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -98.82 71.74 1.92 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.437 1.895 . . . . 10.0 110.267 175.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.72 -9.34 0.69 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.338 1.855 . . . . 10.0 114.872 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.41 -35.99 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 120.808 -1.182 . . . . 10.0 115.157 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.09 146.96 33.76 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 118.292 1.046 . . . . 10.0 112.064 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.37 137.21 11.68 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.214 1.943 . . . . 10.0 113.429 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.47 39.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 127.728 2.411 . . . . 10.0 108.732 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.81 122.43 14.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.979 1.312 . . . . 10.0 113.227 -171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -9.74 32.99 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.373 1.62 . . . . 10.0 115.373 -169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.91 -5.79 37.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.249 1.419 . . . . 10.0 113.467 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -153.9 -23.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.498 -1.376 . . . . 10.0 114.197 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.25 107.32 18.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.752 1.221 . . . . 10.0 109.308 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -152.31 11.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.79 -27.9 20.11 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 116.967 2.21 . . . . 10.0 116.967 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -157.1 48.92 0.44 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 125.059 1.343 . . . . 10.0 111.71 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.05 150.68 11.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 p -161.9 156.44 22.49 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.512 1.925 . . . . 10.0 111.825 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.28 174.79 11.3 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.726 2.011 . . . . 10.0 114.225 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.18 157.95 17.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.451 1.9 . . . . 10.0 113.479 175.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -73.26 168.81 18.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.184 0.993 . . . . 10.0 112.033 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.0 28.95 18.37 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 126.154 1.782 . . . . 10.0 112.074 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.82 -169.89 42.68 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 127.647 2.546 . . . . 10.0 110.838 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 m -143.05 24.63 1.81 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.047 1.339 . . . . 10.0 110.893 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 5.8 mp0 -74.89 82.98 2.18 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.17 0.988 . . . . 10.0 111.703 -170.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -83.41 108.6 16.68 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.509 1.924 . . . . 10.0 108.922 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -92.51 114.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.028 -1.471 . . . . 10.0 107.028 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.2 mt -100.18 125.37 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.286 1.835 . . . . 10.0 107.584 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -89.07 165.22 14.66 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 27.23 74.98 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.173 2.589 . . . . 10.0 115.944 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.95 133.24 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 109.49 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -137.04 -37.1 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 115.512 1.671 . . . . 10.0 115.512 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt 165.75 -31.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.126 2.971 . . . . 10.0 111.493 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -81.85 -0.21 42.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.062 1.345 . . . . 10.0 114.129 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.63 -8.62 59.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.698 1.599 . . . . 10.0 114.443 -171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.47 138.64 39.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.941 1.296 . . . . 10.0 111.837 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.7 156.72 20.82 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.06 95.03 4.53 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 168.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -83.88 75.05 10.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.257 2.223 . . . . 10.0 111.813 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -71.95 130.09 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.062 -1.088 . . . . 10.0 108.062 171.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.22 136.1 47.94 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.342 1.857 . . . . 10.0 112.826 -171.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.9 mt -131.89 134.87 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.249 1.42 . . . . 10.0 108.529 -170.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.75 152.58 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.76 0.824 . . . . 10.0 112.469 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -147.32 146.59 29.75 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 125.849 1.66 . . . . 10.0 108.969 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -145.19 -164.91 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.786 -1.196 . . . . 10.0 111.03 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -10.31 59.29 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.482 1.513 . . . . 10.0 112.974 -173.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.7 -22.25 12.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.442 1.897 . . . . 10.0 115.941 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.56 -160.47 25.27 Favored Glycine 0 CA--C 1.535 1.32 0 N-CA-C 116.957 1.543 . . . . 10.0 116.957 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -152.69 148.64 27.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.609 1.964 . . . . 10.0 109.892 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -155.17 166.12 34.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.534 1.533 . . . . 10.0 112.0 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -154.9 158.72 39.73 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.44 -174.62 4.96 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.373 1.869 . . . . 10.0 111.104 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -151.02 127.44 10.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.832 1.253 . . . . 10.0 112.11 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.6 156.27 4.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.701 1.2 . . . . 10.0 109.746 168.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -116.4 159.28 22.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.874 1.269 . . . . 10.0 110.033 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 100.02 3.3 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.861 0.864 . . . . 10.0 111.22 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -85.96 107.02 17.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.646 1.178 . . . . 10.0 112.342 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.4 t -101.46 115.69 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.585 1.554 . . . . 10.0 110.053 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -111.46 139.56 46.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.078 1.351 . . . . 10.0 112.398 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.49 1.22 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.6 1.16 . . . . 10.0 113.142 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.246 1.819 . . . . 10.0 111.618 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.855 -0.098 . . . . 10.0 112.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -160.98 145.95 14.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -81.4 122.8 27.95 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.764 0.826 . . . . 10.0 110.486 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.31 -14.93 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.073 1.349 . . . . 10.0 112.182 -172.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -160.58 -157.64 0.55 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.097 2.159 . . . . 10.0 107.64 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.27 53.08 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 126.281 1.832 . . . . 10.0 109.814 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.9 mt -150.14 111.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 129.216 3.006 . . . . 10.0 105.04 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -87.43 142.16 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.4 1.08 . . . . 10.0 109.555 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -90.31 99.51 12.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.693 1.197 . . . . 10.0 110.522 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -100.75 122.54 48.86 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 127.073 2.149 . . . . 10.0 110.057 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.25 160.1 9.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.823 3.016 . . . . 10.0 113.759 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -64.54 148.96 90.65 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.215 1.943 . . . . 10.0 112.177 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -135.65 66.47 1.51 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.447 1.899 . . . . 10.0 109.0 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -90.17 135.89 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.934 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -137.8 168.4 19.77 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.15 1.78 . . . . 10.0 111.469 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.45 130.58 34.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.106 0.962 . . . . 10.0 110.248 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -81.98 -16.51 50.12 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.27 1.028 . . . . 10.0 112.974 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.53 158.29 23.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.171 2.588 . . . . 10.0 108.302 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -95.97 -36.98 10.86 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.6 m -148.11 92.62 2.06 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.387 1.075 . . . . 10.0 110.534 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.9 mmm -74.78 160.47 30.67 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.51 1.124 . . . . 10.0 110.987 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -160.78 155.3 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.767 1.227 . . . . 10.0 111.609 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -167.04 157.02 11.13 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.077 0.941 . . . . 10.0 112.695 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.7 m -91.04 123.53 34.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.059 0.944 . . . . 10.0 110.731 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.68 156.22 39.76 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.294 1.038 . . . . 10.0 112.239 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 75.86 7.48 3.73 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.037 2.135 . . . . 10.0 115.898 170.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -90.06 -3.35 58.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.355 1.243 . . . . 10.0 114.355 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m 63.09 27.35 15.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.636 1.574 . . . . 10.0 113.957 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -87.52 -177.93 6.01 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.698 1.999 . . . . 10.0 112.073 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.1 p -123.45 143.94 49.83 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.823 1.249 . . . . 10.0 111.695 169.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -137.94 139.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.229 1.411 . . . . 10.0 110.286 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.7 m -118.19 146.34 44.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.331 0.652 . . . . 10.0 110.978 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -159.23 167.26 29.47 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 127.369 2.267 . . . . 10.0 109.52 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.59 152.14 19.54 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 115.268 1.581 . . . . 10.0 115.268 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -117.71 64.91 0.74 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 105.372 -2.084 . . . . 10.0 105.372 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.37 115.3 2.63 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 128.288 2.635 . . . . 10.0 116.451 -167.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.19 160.33 14.34 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.578 1.151 . . . . 10.0 113.383 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.73 160.33 25.31 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.9 2.08 . . . . 10.0 110.136 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.18 171.99 34.66 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.367 1.937 . . . . 10.0 111.957 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.59 112.51 2.77 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 118.46 1.13 . . . . 10.0 111.329 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.84 150.89 20.12 Favored 'Cis proline' 0 CA--C 1.541 0.854 0 N-CA-C 114.198 0.807 . . . . 10.0 114.198 -7.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.6 136.26 7.53 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.355 1.862 . . . . 10.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -81.38 163.02 19.62 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.514 2.142 . . . . 10.0 112.983 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -101.79 140.9 35.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.215 -1.357 . . . . 10.0 107.445 169.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -154.55 156.83 37.34 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.924 1.083 . . . . 10.0 113.924 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.5 p -151.39 163.05 39.82 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.366 1.866 . . . . 10.0 109.37 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -156.96 158.31 36.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.6 p -129.74 163.05 27.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.97 1.308 . . . . 10.0 111.964 -169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 12.3 ptmm? -113.48 100.83 8.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.649 1.98 . . . . 10.0 109.432 169.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 70.42 -32.49 0.24 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 127.112 2.165 . . . . 10.0 114.594 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.24 -22.5 0.05 OUTLIER Glycine 0 CA--C 1.548 2.124 0 C-N-CA 126.266 1.888 . . . . 10.0 114.687 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.84 143.0 25.37 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.872 1.836 . . . . 10.0 112.175 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -83.52 146.64 12.21 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.619 2.879 . . . . 10.0 114.02 -169.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mt -103.98 10.11 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 126.046 1.739 . . . . 10.0 111.395 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -23.72 88.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 129.7 3.2 . . . . 10.0 116.207 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.13 -1.92 2.52 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.539 1.681 . . . . 10.0 115.539 -169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.97 -6.36 57.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.764 1.226 . . . . 10.0 113.651 173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.74 -28.65 0.08 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -93.98 103.01 15.11 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.61 0.764 . . . . 10.0 110.315 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -131.29 7.76 4.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.665 . . . . 10.0 113.648 -171.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -22.6 -51.24 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 129.087 2.955 . . . . 10.0 117.699 -170.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -154.57 47.55 0.57 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.793 1.637 . . . . 10.0 110.846 169.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.17 155.76 8.25 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.5 t -168.86 167.16 11.11 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.624 1.97 . . . . 10.0 111.824 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -178.0 5.58 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.594 1.958 . . . . 10.0 115.675 -170.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -98.95 176.41 5.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.288 1.435 . . . . 10.0 114.255 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -106.85 -26.12 11.38 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -172.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.19 26.74 2.75 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.9 2.08 . . . . 10.0 112.164 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.4 -158.06 25.11 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 129.043 3.211 . . . . 10.0 107.886 -171.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -152.04 17.22 0.66 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -170.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 19.4 mp0 -63.0 92.94 0.05 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.333 1.853 . . . . 10.0 112.653 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -77.56 111.18 13.02 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.165 1.386 . . . . 10.0 109.921 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.2 mt -95.67 119.26 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.95 132.67 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 126.085 1.754 . . . . 10.0 107.293 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -111.43 154.07 25.18 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.054 0.942 . . . . 10.0 110.924 170.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 59.28 50.68 7.56 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 126.327 1.851 . . . . 10.0 112.269 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.94 138.0 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.078 1.751 . . . . 10.0 113.601 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -145.99 177.0 9.28 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.657 1.583 . . . . 10.0 111.197 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.26 -24.78 20.08 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.191 1.797 . . . . 10.0 114.467 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.3 p -73.75 -13.64 60.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.351 1.461 . . . . 10.0 114.177 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -86.21 -10.17 55.18 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.387 0.884 . . . . 10.0 113.387 175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -55.24 132.41 47.7 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.206 -0.934 . . . . 10.0 110.354 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . . . -160.64 152.21 19.54 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.891 1.811 . . . . 10.0 115.891 -169.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -112.8 86.37 2.35 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 104.573 -2.38 . . . . 10.0 104.573 167.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -73.99 133.87 43.03 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.27 1.028 . . . . 10.0 111.03 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.7 mt -135.04 123.89 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.826 0.85 . . . . 10.0 109.04 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.1 p -114.92 150.02 36.33 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.501 1.143 . . . . 10.0 113.654 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.14 127.22 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.645 1.978 . . . . 10.0 108.186 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.7 147.72 42.67 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.159 0.984 . . . . 10.0 111.543 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -149.14 145.73 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.535 1.134 . . . . 10.0 110.98 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.22 -174.98 4.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.471 1.108 . . . . 10.0 110.752 169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.17 -19.82 64.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 115.332 1.605 . . . . 10.0 115.332 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.9 -21.19 17.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.294 1.437 . . . . 10.0 114.764 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.96 -160.13 28.94 Favored Glycine 0 CA--C 1.542 1.734 0 CA-C-N 120.66 1.573 . . . . 10.0 116.432 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -147.39 149.7 33.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.541 1.536 . . . . 10.0 109.749 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -155.69 164.55 38.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.368 1.067 . . . . 10.0 112.828 -174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.93 154.94 36.04 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.066 1.347 . . . . 10.0 114.433 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.24 172.85 15.77 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 126.018 1.727 . . . . 10.0 112.847 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 96.7 m -146.0 141.96 28.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.122 1.769 . . . . 10.0 112.615 -169.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.55 149.26 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 126.662 1.985 . . . . 10.0 110.039 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -106.69 148.44 28.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.89 -1.131 . . . . 10.0 110.914 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -138.07 114.33 10.21 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.831 1.253 . . . . 10.0 109.534 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -103.98 103.11 12.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.07 1.748 . . . . 10.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.01 140.51 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 10.0 109.753 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -132.92 153.12 51.7 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.457 1.503 . . . . 10.0 113.314 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.24 53.31 0.71 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.929 1.292 . . . . 10.0 111.463 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.924 2.09 . . . . 10.0 112.333 -173.32 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -157.95 154.36 27.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.779 1.232 . . . . 10.0 110.249 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.17 -10.79 54.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.552 1.141 . . . . 10.0 113.53 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.2 mm -100.53 -24.85 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.214 1.406 . . . . 10.0 114.025 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.36 29.24 0.34 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.542 1.682 . . . . 10.0 115.542 -169.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -134.8 125.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.224 1.81 . . . . 10.0 109.59 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 mm -84.74 77.25 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 122.709 1.242 . . . . 10.0 111.625 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.8 t -151.83 -45.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 127.844 2.457 . . . . 10.0 109.756 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -81.31 146.01 30.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.112 1.365 . . . . 10.0 112.422 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.85 120.93 4.35 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 127.457 2.303 . . . . 10.0 109.87 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.32 149.29 23.14 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.601 2.868 . . . . 10.0 112.768 172.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.66 167.75 20.35 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.575 2.183 . . . . 10.0 110.804 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t -153.4 78.0 1.14 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.829 0.823 . . . . 10.0 111.059 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 135.02 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.466 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -137.42 157.31 46.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -169.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.19 19.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.952 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -74.13 -20.95 60.07 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.761 0.425 . . . . 10.0 111.622 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -144.37 149.25 35.83 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.181 2.192 . . . . 10.0 110.142 170.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -94.0 -17.53 22.82 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -166.6 137.86 3.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.769 2.428 . . . . 10.0 109.803 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -125.47 164.57 20.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.852 2.061 . . . . 10.0 110.3 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.41 156.36 32.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.264 1.426 . . . . 10.0 112.204 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.6 162.37 11.91 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.891 2.076 . . . . 10.0 111.001 -176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.7 m -93.14 128.56 39.12 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.76 0.824 . . . . 10.0 109.44 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 149.5 37.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.736 0.814 . . . . 10.0 113.015 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 72.69 -1.32 3.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.997 2.119 . . . . 10.0 115.066 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 mt -90.59 2.83 55.47 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.459 1.504 . . . . 10.0 113.408 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 p 72.87 16.57 4.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.5 2.32 . . . . 10.0 114.925 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -54.5 152.33 6.8 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.706 1.602 . . . . 10.0 115.088 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -116.57 141.46 48.15 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.762 1.625 . . . . 10.0 109.748 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.62 147.02 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.446 1.499 . . . . 10.0 110.047 -169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -122.98 144.01 49.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.099 0.96 . . . . 10.0 110.941 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 pp -156.61 166.39 33.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.363 1.865 . . . . 10.0 109.832 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -156.36 142.02 17.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 116.06 1.874 . . . . 10.0 116.06 -171.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 t -114.0 73.82 0.84 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.099 -1.409 . . . . 10.0 107.88 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.42 122.31 15.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.385 1.474 . . . . 10.0 113.969 -168.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.86 15.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.163 0.983 . . . . 10.0 112.522 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -162.15 156.35 21.76 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.214 1.806 . . . . 10.0 109.618 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.68 172.76 23.56 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 126.07 1.795 . . . . 10.0 113.407 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.03 114.74 9.24 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 118.349 1.075 . . . . 10.0 110.329 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.89 162.62 81.26 Favored 'Cis proline' 0 CA--C 1.536 0.606 0 CA-C-N 120.259 1.128 . . . . 10.0 112.129 0.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -41.76 125.76 2.48 Favored Pre-proline 0 CA--C 1.544 0.715 0 C-N-CA 125.291 1.436 . . . . 10.0 111.784 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -82.2 170.16 13.73 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.323 2.015 . . . . 10.0 113.691 -168.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -103.45 147.73 26.78 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 113.307 -1.77 . . . . 10.0 107.867 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -154.36 157.01 37.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.033 1.288 . . . . 10.0 113.223 -172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.1 p -148.63 162.35 39.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.033 1.733 . . . . 10.0 111.45 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.77 160.33 25.18 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.947 1.299 . . . . 10.0 113.576 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.0 p -116.2 157.29 25.09 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -170.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -110.99 49.44 0.87 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.624 1.97 . . . . 10.0 111.68 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.0 t70 58.43 21.23 8.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 126.856 2.062 . . . . 10.0 114.97 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.82 -24.08 0.04 OUTLIER Glycine 0 N--CA 1.471 1.028 0 O-C-N 120.165 -1.584 . . . . 10.0 117.01 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -153.71 161.77 28.35 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 118.38 1.09 . . . . 10.0 112.04 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -69.21 150.31 71.39 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.497 2.131 . . . . 10.0 114.171 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.5 mt -93.01 5.79 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 126.344 1.858 . . . . 10.0 111.567 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -13.35 85.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 130.491 3.516 . . . . 10.0 115.48 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -66.53 -0.94 3.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.32 1.6 . . . . 10.0 115.32 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.21 -5.9 51.61 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.929 1.692 . . . . 10.0 114.324 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -155.4 -30.94 0.1 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.858 1.429 . . . . 10.0 114.858 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -97.0 104.27 16.27 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.329 0.651 . . . . 10.0 111.689 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.71 8.41 2.81 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.437 1.095 . . . . 10.0 113.336 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -31.8 -44.74 0.09 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.494 2.717 . . . . 10.0 116.568 -170.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -154.53 47.92 0.58 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.483 1.513 . . . . 10.0 110.504 169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -168.03 155.53 8.32 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -170.36 156.78 5.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.771 2.028 . . . . 10.0 111.221 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -171.24 3.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.816 1.247 . . . . 10.0 113.599 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -95.46 -179.89 4.92 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.207 1.803 . . . . 10.0 113.328 -174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -113.81 148.08 37.23 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.701 1.601 . . . . 10.0 108.984 168.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 56.02 29.68 14.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 123.118 1.437 . . . . 10.0 112.085 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.96 173.51 46.31 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 129.754 3.55 . . . . 10.0 108.856 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -144.09 28.8 1.36 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.97 1.385 . . . . 10.0 113.252 -169.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 mp0 -80.21 87.09 5.55 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.775 -1.203 . . . . 10.0 110.396 -169.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.8 tp -68.43 108.24 3.19 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.398 2.279 . . . . 10.0 109.122 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.33 127.68 45.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -117.47 122.42 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 C-N-CA 125.811 1.644 . . . . 10.0 107.467 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -99.23 159.09 15.24 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.19 0.996 . . . . 10.0 111.291 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp 62.22 47.11 5.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.957 2.103 . . . . 10.0 112.813 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.38 139.33 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -144.65 -177.87 5.72 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.508 1.923 . . . . 10.0 110.01 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -62.74 -14.22 41.98 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.356 -1.465 . . . . 10.0 114.343 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 p -76.46 -7.04 54.26 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.887 1.275 . . . . 10.0 114.044 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -97.63 -2.06 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.08 1.352 . . . . 10.0 113.354 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -63.73 127.83 33.11 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.14 -0.975 . . . . 10.0 109.673 169.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -156.3 150.9 25.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.546 1.313 . . . . 10.0 114.546 -169.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 35.3 tt0 -116.92 107.17 14.25 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.841 2.456 . . . . 10.0 105.415 168.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -93.88 119.64 33.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.075 1.35 . . . . 10.0 110.442 -171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.28 124.51 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 104.401 -2.444 . . . . 10.0 104.401 168.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 p -126.18 136.25 52.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.972 0.509 . . . . 10.0 111.931 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 56.8 mt -136.32 138.0 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 126.486 1.915 . . . . 10.0 108.395 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.41 152.77 51.34 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.758 1.223 . . . . 10.0 111.706 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -150.63 144.97 25.58 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 124.48 1.112 . . . . 10.0 110.496 -172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -141.74 -164.56 1.81 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.954 0.902 . . . . 10.0 109.203 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -15.86 58.59 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.606 -1.309 . . . . 10.0 112.743 -174.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.79 -21.88 15.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.7 1.6 . . . . 10.0 114.718 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.72 -163.25 32.14 Favored Glycine 0 CA--C 1.542 1.776 0 CA-C-N 120.181 1.355 . . . . 10.0 114.991 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -152.21 148.38 27.52 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.959 1.704 . . . . 10.0 109.805 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -155.07 172.66 17.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.076 0.95 . . . . 10.0 112.267 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.43 160.14 42.52 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.44 -174.31 4.56 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.321 2.248 . . . . 10.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.1 m -151.67 145.28 24.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.407 1.083 . . . . 10.0 111.848 -176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.9 mt -141.04 162.74 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 127.195 2.198 . . . . 10.0 110.508 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -132.79 149.67 52.25 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.476 1.11 . . . . 10.0 112.492 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 tp -130.1 108.46 10.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.307 1.843 . . . . 10.0 108.941 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -102.63 95.73 6.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.47 1.908 . . . . 10.0 111.603 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.58 135.74 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.158 1.383 . . . . 10.0 111.046 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -112.17 139.17 47.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.815 1.246 . . . . 10.0 112.231 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.52 48.36 0.85 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.614 1.565 . . . . 10.0 112.555 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm . . . . . 0 C--O 1.249 1.062 0 C-N-CA 126.934 2.093 . . . . 10.0 113.242 -173.368 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -163.38 171.18 16.41 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.361 1.864 . . . . 10.0 112.309 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -78.92 -17.7 55.06 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 mm -80.45 -28.78 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -134.13 14.91 3.86 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -151.67 101.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.369 1.868 . . . . 10.0 108.017 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mm -82.49 75.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.787 1.28 . . . . 10.0 110.588 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.9 t -156.04 -38.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 129.436 3.094 . . . . 10.0 109.506 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -78.25 163.25 25.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.604 1.162 . . . . 10.0 112.121 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -149.93 124.27 4.64 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.44 1.896 . . . . 10.0 108.652 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.65 162.53 6.4 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.673 2.915 . . . . 10.0 112.781 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -65.62 152.71 80.95 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.278 2.652 . . . . 10.0 111.092 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -140.7 50.46 1.66 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.409 1.084 . . . . 10.0 111.393 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.2 p -74.59 126.55 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-O 122.102 0.953 . . . . 10.0 109.371 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -126.77 173.21 9.72 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.806 2.043 . . . . 10.0 109.547 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.61 124.07 35.49 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.001 0.92 . . . . 10.0 109.58 169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -72.18 -30.95 65.47 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -149.51 138.29 21.03 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.375 2.27 . . . . 10.0 106.994 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -79.91 -23.55 41.72 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.595 -1.316 . . . . 10.0 113.273 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -147.27 135.57 21.65 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 126.214 1.805 . . . . 10.0 108.628 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.6 mtp -132.63 179.18 6.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.757 1.623 . . . . 10.0 111.34 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -160.01 170.79 20.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.218 1.407 . . . . 10.0 111.392 -172.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.03 153.89 16.83 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.678 1.191 . . . . 10.0 111.022 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -97.35 109.64 22.36 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.965 0.888 . . . . 10.0 110.396 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 172.43 12.78 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.058 1.343 . . . . 10.0 112.262 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m120 69.0 -6.13 0.94 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 127.722 2.409 . . . . 10.0 114.647 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.61 -10.61 24.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.304 1.842 . . . . 10.0 113.292 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m 58.83 36.62 24.78 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.144 1.378 . . . . 10.0 113.382 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -79.83 171.96 14.42 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.787 1.235 . . . . 10.0 112.586 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -110.02 151.77 26.75 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.086 1.354 . . . . 10.0 111.566 170.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.04 134.57 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.73 0.812 . . . . 10.0 109.835 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -102.55 141.34 35.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.594 1.157 . . . . 10.0 110.425 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 pp -155.82 162.53 40.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.994 1.718 . . . . 10.0 109.213 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.23 147.11 9.24 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 118.108 2.633 . . . . 10.0 118.108 -168.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 m -112.51 101.32 9.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -73.37 78.44 1.37 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.78 1.232 . . . . 10.0 114.06 -168.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -74.72 149.68 39.75 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.399 1.479 . . . . 10.0 112.346 173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -164.09 164.24 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.588 1.955 . . . . 10.0 109.204 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.33 177.39 41.07 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.882 1.706 . . . . 10.0 112.504 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -147.41 116.34 4.3 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 117.842 0.821 . . . . 10.0 112.533 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -61.0 159.45 47.74 Favored 'Cis proline' 0 CA--C 1.551 1.346 0 CA-C-N 118.812 0.611 . . . . 10.0 111.757 -4.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.82 133.27 0.86 Allowed Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.666 1.586 . . . . 10.0 113.226 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.47 156.78 32.55 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.744 1.63 . . . . 10.0 113.194 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -95.44 105.8 17.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 113.971 -1.468 . . . . 10.0 107.087 169.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -128.19 146.89 50.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.288 0.635 . . . . 10.0 112.699 -173.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -148.58 168.94 21.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.203 1.801 . . . . 10.0 111.32 173.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -154.58 160.05 41.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 10.0 112.219 -174.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -118.23 143.13 46.79 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.72 68.53 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.725 2.01 . . . . 10.0 108.459 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 71.07 -17.91 0.29 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.399 2.28 . . . . 10.0 114.255 -170.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.51 -29.17 0.05 OUTLIER Glycine 0 N--CA 1.469 0.878 0 CA-C-O 118.33 -1.261 . . . . 10.0 115.358 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -95.71 151.48 38.49 Favored Pre-proline 0 N--CA 1.479 0.989 0 CA-C-N 119.767 1.784 . . . . 10.0 111.128 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -72.54 145.16 41.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.272 1.981 . . . . 10.0 115.212 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.7 mt -103.23 42.51 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 129.038 2.935 . . . . 10.0 108.015 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.18 126.38 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.093 2.157 . . . . 10.0 114.49 -173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -56.74 -20.93 24.64 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.231 1.412 . . . . 10.0 113.977 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.71 -5.9 37.67 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -158.81 -20.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.668 1.358 . . . . 10.0 114.668 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -80.82 75.66 7.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.753 1.161 . . . . 10.0 111.728 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -125.48 5.2 7.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.529 1.932 . . . . 10.0 113.539 -171.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.8 -30.71 71.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.673 1.361 . . . . 10.0 114.673 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -157.63 48.94 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.624 1.57 . . . . 10.0 111.686 169.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -154.7 149.3 26.4 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -172.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.3 m -152.87 142.3 21.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.309 1.844 . . . . 10.0 110.192 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -146.56 169.97 17.86 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.74 2.126 . . . . 10.0 116.74 -169.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -85.62 -175.65 5.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.203 1.401 . . . . 10.0 114.31 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -78.63 -13.24 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -90.43 -11.69 39.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.353 1.461 . . . . 10.0 111.845 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.63 4.23 87.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.429 1.014 . . . . 10.0 113.015 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.2 p -89.5 -55.6 3.59 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.102 1.519 . . . . 10.0 115.102 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 47.4 mt-10 -78.76 101.18 7.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.96 0.345 . . . . 10.0 110.663 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.25 113.93 25.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.034 1.334 . . . . 10.0 109.632 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.64 125.16 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.086 -1.82 . . . . 10.0 106.086 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -110.84 141.55 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.35 -1.352 . . . . 10.0 107.35 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.29 160.82 22.23 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.343 1.057 . . . . 10.0 112.122 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.265 63.8 pttt 45.79 56.86 5.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.432 1.893 . . . . 10.0 112.514 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.96 139.71 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.164 1.386 . . . . 10.0 111.305 -171.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.32 -176.33 5.26 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.681 1.193 . . . . 10.0 112.163 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -14.09 37.17 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.282 -1.511 . . . . 10.0 114.356 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.1 p -74.42 -13.63 60.74 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 10.0 114.146 170.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -84.87 -11.64 55.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.115 1.325 . . . . 10.0 114.57 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -48.12 123.43 6.31 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.672 1.589 . . . . 10.0 110.805 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.63 153.1 35.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.703 1.239 . . . . 10.0 113.218 -170.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.01 98.06 6.75 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.125 -1.806 . . . . 10.0 106.125 169.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -84.53 113.05 20.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.003 1.321 . . . . 10.0 112.424 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.24 123.53 59.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 26.3 p -122.38 130.31 52.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.501 1.12 . . . . 10.0 111.59 -173.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.4 141.28 46.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 125.481 1.513 . . . . 10.0 109.373 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.66 149.07 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.797 1.284 . . . . 10.0 112.221 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -148.61 144.1 26.99 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.062 1.345 . . . . 10.0 110.138 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -153.9 -165.12 2.03 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.233 0.613 . . . . 10.0 111.282 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -23.64 60.28 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.906 0.882 . . . . 10.0 112.851 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.62 -16.59 19.01 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.712 1.605 . . . . 10.0 114.808 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.99 -153.5 15.82 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 120.574 1.534 . . . . 10.0 116.21 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -157.6 150.0 22.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.315 2.246 . . . . 10.0 109.931 -172.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -157.81 164.21 37.24 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.9 1.28 . . . . 10.0 112.68 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.89 158.11 30.29 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.173 1.546 . . . . 10.0 115.173 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.37 177.96 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.211 1.804 . . . . 10.0 112.257 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -144.68 141.35 29.26 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.451 1.5 . . . . 10.0 112.256 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 mt -143.68 145.67 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.945 1.698 . . . . 10.0 110.864 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -104.62 146.23 29.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.246 1.019 . . . . 10.0 111.889 170.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.6 tp -124.97 96.86 5.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.645 1.178 . . . . 10.0 110.299 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -94.79 77.32 3.67 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.968 1.707 . . . . 10.0 111.863 -172.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.1 140.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.95 1.3 . . . . 10.0 110.098 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -131.85 162.79 29.74 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 126.03 1.732 . . . . 10.0 111.959 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.63 37.29 2.96 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.903 1.446 . . . . 10.0 114.903 -171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.18 1.792 . . . . 10.0 112.712 -175.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.775 -0.53 . . . . 10.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -157.72 168.5 27.04 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.977 1.311 . . . . 10.0 113.344 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.66 151.31 20.25 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 127.766 2.426 . . . . 10.0 109.984 170.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.19 149.06 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.696 1.198 . . . . 10.0 111.208 -169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -82.95 31.12 0.43 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.575 -1.328 . . . . 10.0 112.988 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -155.39 149.85 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.883 2.873 . . . . 10.0 107.123 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm -74.89 85.0 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 124.38 1.072 . . . . 10.0 110.852 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.94 -30.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.508 1.923 . . . . 10.0 112.412 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.33 57.39 4.24 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.961 1.704 . . . . 10.0 112.35 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.6 t -69.24 122.16 84.47 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.142 1.377 . . . . 10.0 111.713 -170.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.23 159.52 7.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 125.144 3.896 . . . . 10.0 114.291 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -88.15 71.62 2.69 Favored 'Trans proline' 0 CA--C 1.548 1.204 1 C-N-CA 125.653 4.236 . . . . 10.0 112.101 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.2 m -80.44 70.38 7.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.794 1.238 . . . . 10.0 111.429 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.03 139.5 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.555 0.693 . . . . 10.0 112.31 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -131.0 170.57 14.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.167 1.787 . . . . 10.0 109.69 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.19 125.5 40.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -68.32 -14.44 63.0 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.841 0.856 . . . . 10.0 112.798 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 154.58 19.27 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 129.925 3.29 . . . . 10.0 109.416 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -87.75 -29.08 21.32 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.9 m -152.12 133.06 14.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.337 1.855 . . . . 10.0 109.938 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 77.7 mmm -117.56 168.84 10.04 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.693 1.597 . . . . 10.0 110.926 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -159.84 164.23 33.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.096 1.758 . . . . 10.0 109.964 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.35 154.96 10.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.394 1.078 . . . . 10.0 111.856 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -96.93 107.42 19.93 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.072 0.949 . . . . 10.0 108.74 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.29 155.51 40.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.781 1.233 . . . . 10.0 113.493 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 72.74 -3.17 2.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.327 2.251 . . . . 10.0 115.734 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.86 -1.95 55.45 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.732 1.613 . . . . 10.0 113.385 171.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m 62.54 24.12 14.35 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.105 1.762 . . . . 10.0 113.392 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -76.73 171.84 14.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.69 0.796 . . . . 10.0 112.558 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -122.83 149.29 44.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.43 1.092 . . . . 10.0 110.843 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -149.55 137.37 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.03 0.932 . . . . 10.0 111.247 -171.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -108.51 141.78 39.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 10.0 111.095 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.88 171.09 17.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.68 1.592 . . . . 10.0 110.99 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -160.56 144.99 14.14 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -170.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -117.84 81.1 1.61 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.922 2.489 . . . . 10.0 106.339 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -73.15 111.69 8.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.479 0.712 . . . . 10.0 112.566 -168.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.08 142.93 26.75 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.687 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -141.46 141.42 33.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.012 1.325 . . . . 10.0 109.214 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.92 -171.89 44.06 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.077 1.798 . . . . 10.0 111.038 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -151.7 124.93 4.19 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 118.047 0.924 . . . . 10.0 111.533 174.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.39 162.55 85.65 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.34 0.8 . . . . 10.0 111.769 -2.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -27.1 108.17 0.21 Allowed Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.905 2.082 . . . . 10.0 113.061 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -54.35 154.76 18.07 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.986 2.457 . . . . 10.0 117.017 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.4 m -88.58 118.7 28.43 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 107.787 -1.19 . . . . 10.0 107.787 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -137.94 151.24 47.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.889 0.768 . . . . 10.0 112.689 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.0 p -150.37 164.18 36.49 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.578 1.551 . . . . 10.0 110.766 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -163.14 168.45 20.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.519 0.728 . . . . 10.0 112.772 -174.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 p -131.41 154.64 48.44 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.416 1.265 . . . . 10.0 114.416 -169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -100.93 51.89 0.86 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.407 2.683 . . . . 10.0 110.27 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 77.06 -2.76 2.6 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.688 1.995 . . . . 10.0 113.537 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.14 -30.13 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 N-CA-C 115.599 1.0 . . . . 10.0 115.599 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.5 153.17 38.44 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.515 1.526 . . . . 10.0 110.586 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.09 142.03 13.38 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 122.183 1.922 . . . . 10.0 115.637 -169.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 mt -106.43 40.31 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.66 2.784 . . . . 10.0 108.648 169.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -75.83 139.8 41.93 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 119.937 -1.727 . . . . 10.0 112.259 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.9 1.88 6.42 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.136 1.374 . . . . 10.0 114.615 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.02 -7.87 11.9 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.965 1.306 . . . . 10.0 114.483 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -153.17 -4.78 0.2 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.849 1.796 . . . . 10.0 115.849 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.46 121.4 25.76 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.873 -1.142 . . . . 10.0 109.201 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -161.43 12.16 0.09 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.764 1.626 . . . . 10.0 114.275 -168.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -49.82 -30.02 8.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 117.679 2.474 . . . . 10.0 117.679 -169.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -157.43 48.09 0.41 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.806 1.642 . . . . 10.0 112.048 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -162.71 157.93 22.36 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -171.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 p -148.12 151.14 35.1 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.283 1.833 . . . . 10.0 111.782 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.71 -170.22 3.52 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.831 1.252 . . . . 10.0 113.737 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.93 172.39 14.26 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.117 1.367 . . . . 10.0 114.046 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.06 -6.03 19.0 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.631 1.572 . . . . 10.0 114.751 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -99.93 15.3 27.57 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.536 1.934 . . . . 10.0 112.122 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.75 -88.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 128.494 2.95 . . . . 10.0 108.294 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -179.73 -44.68 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 127.399 2.28 . . . . 10.0 110.264 169.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 5.4 mp0 15.53 73.64 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 130.422 3.489 . . . . 10.0 113.224 -171.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.3 tp -81.03 112.51 18.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.176 1.39 . . . . 10.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.3 mt -99.18 125.09 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 126.441 1.897 . . . . 10.0 107.692 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.54 120.89 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 125.253 1.421 . . . . 10.0 108.025 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -95.9 156.55 16.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.064 0.545 . . . . 10.0 110.879 171.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 57.7 58.29 3.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.305 1.842 . . . . 10.0 112.144 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -75.41 142.72 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 123.918 0.887 . . . . 10.0 111.978 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.41 179.37 7.14 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.673 1.589 . . . . 10.0 110.451 171.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.53 -8.47 34.17 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.967 -1.708 . . . . 10.0 112.824 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 p -72.39 -10.03 59.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.887 0.875 . . . . 10.0 111.802 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -89.33 -8.42 53.32 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 172.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.83 118.59 4.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.264 0.938 . . . . 10.0 110.22 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.59 159.02 32.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -105.77 109.95 22.08 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.436 1.495 . . . . 10.0 108.542 168.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -88.6 75.72 8.25 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.117 1.767 . . . . 10.0 110.182 -170.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.3 mt -78.07 137.19 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 106.521 -1.659 . . . . 10.0 106.521 170.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.8 p -142.99 141.3 31.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.845 1.258 . . . . 10.0 113.18 -170.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.56 145.53 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.723 1.609 . . . . 10.0 108.518 -169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.89 49.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.4 1.08 . . . . 10.0 112.525 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -152.58 151.25 30.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.927 1.291 . . . . 10.0 110.035 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -155.41 175.06 14.37 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.667 1.187 . . . . 10.0 109.468 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -25.96 60.45 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 114.95 1.463 . . . . 10.0 114.95 171.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.52 -8.0 21.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.65 -165.77 37.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 120.129 1.332 . . . . 10.0 114.607 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -165.14 145.58 7.17 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.521 1.928 . . . . 10.0 110.141 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.59 174.76 14.12 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.554 -1.341 . . . . 10.0 112.658 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -157.58 155.85 30.9 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.117 1.525 . . . . 10.0 115.117 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.65 179.47 7.54 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 126.711 2.004 . . . . 10.0 112.357 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -147.81 143.29 27.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.33 1.452 . . . . 10.0 112.593 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.85 173.5 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 127.462 2.305 . . . . 10.0 109.311 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -144.69 136.63 25.91 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.011 0.924 . . . . 10.0 109.473 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.03 95.9 6.04 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.824 2.05 . . . . 10.0 110.377 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -89.84 83.79 6.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.248 1.819 . . . . 10.0 112.051 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.96 136.14 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 120.668 -1.27 . . . . 10.0 111.541 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -124.23 154.37 40.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.972 1.709 . . . . 10.0 111.065 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.66 34.81 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.106 1.151 . . . . 10.0 114.106 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.0 pttt . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.368 2.267 . . . . 10.0 112.39 -174.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.12 -0.792 . . . . 10.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -162.24 157.98 23.74 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 127.111 2.164 . . . . 10.0 112.215 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -95.37 -17.62 21.43 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.541 1.136 . . . . 10.0 113.43 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.05 -39.62 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -169.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -92.58 22.73 4.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.157 1.783 . . . . 10.0 113.955 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t -150.59 152.38 11.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 128.088 2.555 . . . . 10.0 107.018 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -77.53 83.62 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 120.655 -1.278 . . . . 10.0 110.401 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 t -146.72 -28.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.501 1.52 . . . . 10.0 111.293 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.72 155.17 39.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.2 t -140.64 129.15 12.77 Favored Pre-proline 0 C--O 1.239 0.533 0 C-N-CA 127.531 2.332 . . . . 10.0 109.217 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.38 160.75 4.56 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.826 3.017 . . . . 10.0 113.779 171.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -67.78 148.5 77.3 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.209 1.273 . . . . 10.0 110.558 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -132.1 51.45 2.15 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 125.888 1.675 . . . . 10.0 110.546 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.78 126.47 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.185 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -142.77 158.75 43.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.894 1.678 . . . . 10.0 111.896 -170.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.23 110.94 14.97 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.813 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.17 -18.63 63.95 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.556 0.742 . . . . 10.0 111.891 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -162.32 143.83 10.63 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 128.932 2.893 . . . . 10.0 107.208 169.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 p -85.09 -26.42 26.95 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 -175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.2 m -148.49 111.65 4.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.743 1.217 . . . . 10.0 110.087 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mmm -100.44 171.4 7.77 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.48 1.512 . . . . 10.0 110.924 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -148.52 163.35 37.45 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.585 1.154 . . . . 10.0 112.298 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.08 157.5 28.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.742 0.817 . . . . 10.0 112.86 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -101.03 120.41 40.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.725 1.21 . . . . 10.0 111.173 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.08 173.22 7.53 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.92 1.688 . . . . 10.0 111.447 173.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 65.5 32.73 9.24 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.962 1.305 . . . . 10.0 111.519 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 8.95 0.06 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.262 1.825 . . . . 10.0 115.288 173.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m 65.47 46.9 2.4 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -70.75 166.49 20.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.334 1.053 . . . . 10.0 112.721 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -127.94 136.18 50.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.987 1.715 . . . . 10.0 109.714 170.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.5 139.41 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.088 0.955 . . . . 10.0 112.453 -168.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.7 m -104.1 142.49 34.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.905 1.282 . . . . 10.0 110.611 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.77 165.63 36.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.514 1.926 . . . . 10.0 110.016 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.07 146.84 9.37 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.896 2.554 . . . . 10.0 117.896 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.53 89.68 3.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.103 1.761 . . . . 10.0 107.873 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 129.49 40.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.043 1.337 . . . . 10.0 112.021 -169.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.46 90.74 3.31 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.284 1.033 . . . . 10.0 112.852 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -95.99 156.73 16.21 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.811 1.245 . . . . 10.0 111.277 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.52 169.29 33.44 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.603 1.096 . . . . 10.0 113.584 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -143.42 121.14 6.93 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 114.54 1.311 . . . . 10.0 114.54 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.68 159.21 28.65 Favored 'Cis proline' 0 CA--C 1.537 0.629 0 CA-C-N 120.338 1.157 . . . . 10.0 113.275 -10.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -37.38 125.68 0.88 Allowed Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 127.24 2.216 . . . . 10.0 112.903 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.88 163.54 23.3 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.308 2.005 . . . . 10.0 113.89 -171.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -100.67 140.38 35.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.727 1.211 . . . . 10.0 109.402 169.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -154.67 155.84 35.36 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.158 -0.964 . . . . 10.0 112.969 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 p -148.28 168.31 22.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.154 1.382 . . . . 10.0 109.67 171.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -153.28 163.72 39.4 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.616 -0.72 . . . . 10.0 112.119 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.4 p -135.57 153.84 51.55 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.247 1.019 . . . . 10.0 111.732 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -94.35 57.61 2.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.456 1.903 . . . . 10.0 110.923 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.34 7.54 5.01 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.829 1.652 . . . . 10.0 113.104 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.59 -37.58 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.148 -0.97 . . . . 10.0 114.848 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.15 149.17 36.04 Favored Pre-proline 0 N--CA 1.481 1.096 0 C-N-CA 124.018 0.927 . . . . 10.0 112.762 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -74.43 138.13 24.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.15 1.9 . . . . 10.0 115.653 -169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.4 mt -106.3 44.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 129.385 3.074 . . . . 10.0 106.849 169.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.05 100.31 0.09 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.439 1.496 . . . . 10.0 114.002 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -57.58 -13.09 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.988 1.715 . . . . 10.0 114.881 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -94.43 -5.82 45.45 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.66 1.584 . . . . 10.0 114.345 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.4 -24.27 0.09 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.462 1.282 . . . . 10.0 114.462 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -98.01 126.95 43.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.104 0.865 . . . . 10.0 110.254 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -155.86 11.05 0.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 10.0 113.545 -170.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.9 -30.95 0.14 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 118.544 2.794 . . . . 10.0 118.544 -169.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -157.14 47.68 0.42 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 125.653 1.581 . . . . 10.0 112.151 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -162.23 164.29 27.79 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.779 1.77 . . . . 10.0 115.779 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 m -161.11 157.72 26.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.655 2.382 . . . . 10.0 109.821 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -147.19 -176.59 5.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.845 2.165 . . . . 10.0 116.845 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -95.98 -174.22 3.05 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.255 2.222 . . . . 10.0 115.074 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -73.19 -19.61 61.07 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.809 1.411 . . . . 10.0 114.809 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.49 -18.28 45.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.497 1.519 . . . . 10.0 112.701 174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.62 6.09 80.84 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.855 1.693 . . . . 10.0 114.294 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p -111.58 -36.7 5.42 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 117.357 2.355 . . . . 10.0 117.357 -168.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.96 77.41 5.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.017 1.735 . . . . 10.0 111.684 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -75.27 104.46 5.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.04 2.136 . . . . 10.0 109.66 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.73 117.22 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.241 -1.392 . . . . 10.0 107.241 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.4 mt -107.82 120.29 58.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 125.266 1.426 . . . . 10.0 107.731 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -95.93 156.73 16.21 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.892 0.877 . . . . 10.0 110.566 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 tptt 55.9 55.57 6.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.364 1.865 . . . . 10.0 110.898 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.44 137.28 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.783 1.233 . . . . 10.0 110.515 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -146.8 178.17 8.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.837 1.655 . . . . 10.0 110.404 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -60.77 -17.43 48.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.825 -1.172 . . . . 10.0 113.952 -172.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.4 p -68.18 -12.98 61.86 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.22 1.408 . . . . 10.0 114.46 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -89.56 -4.99 57.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.848 1.259 . . . . 10.0 114.134 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -47.74 135.06 12.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.619 1.168 . . . . 10.0 111.475 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.44 160.58 38.48 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.828 0.823 . . . . 10.0 112.514 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -130.16 65.06 1.52 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.531 1.532 . . . . 10.0 107.173 170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.36 129.03 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.866 2.066 . . . . 10.0 114.53 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.5 mt -117.68 127.09 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.368 -1.345 . . . . 10.0 107.368 169.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -123.13 138.11 54.74 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.625 1.97 . . . . 10.0 111.786 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.9 mt -138.8 142.31 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.496 1.518 . . . . 10.0 108.765 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.95 157.25 44.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 122.717 1.246 . . . . 10.0 113.064 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -155.79 145.09 20.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.658 1.583 . . . . 10.0 110.28 -172.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -152.2 -175.44 5.26 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.014 1.326 . . . . 10.0 109.965 170.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -59.29 -24.04 62.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.625 1.57 . . . . 10.0 114.616 178.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.29 -20.11 17.4 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.238 1.815 . . . . 10.0 115.086 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.08 -160.2 28.94 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-N 120.53 1.514 . . . . 10.0 116.588 -178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -154.37 149.92 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.07 1.748 . . . . 10.0 110.662 -172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -159.4 166.22 31.54 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 121.107 -0.995 . . . . 10.0 113.476 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -155.22 159.95 40.47 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 120.742 -1.224 . . . . 10.0 114.093 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.65 176.92 10.89 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 126.167 1.787 . . . . 10.0 112.13 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.0 m -148.91 143.06 25.97 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.579 1.552 . . . . 10.0 111.995 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.54 158.28 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.468 2.307 . . . . 10.0 109.278 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -126.94 154.34 44.65 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.744 1.218 . . . . 10.0 111.696 170.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.4 tp -133.84 115.82 14.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.831 1.252 . . . . 10.0 111.08 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -94.49 102.31 14.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.659 1.584 . . . . 10.0 113.025 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 t -97.79 130.53 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.015 -1.053 . . . . 10.0 111.368 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -124.96 140.89 52.51 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.013 1.325 . . . . 10.0 112.59 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.37 44.86 1.2 Allowed 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.72 -1.237 . . . . 10.0 112.958 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.257 1.459 0 C-N-CA 127.554 2.341 . . . . 10.0 112.003 -172.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.075 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -157.97 -173.97 4.61 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.478 1.511 . . . . 10.0 111.417 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -82.88 -171.13 3.37 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.055 1.342 . . . . 10.0 110.655 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.03 -33.63 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 120.308 -1.495 . . . . 10.0 108.855 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.78 -172.09 3.17 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.83 1.252 . . . . 10.0 111.199 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 t -85.54 61.82 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-O 123.368 1.556 . . . . 10.0 108.304 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 mm -142.76 154.96 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 129.415 3.086 . . . . 10.0 107.495 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.3 t -119.69 147.45 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.914 1.286 . . . . 10.0 110.726 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -48.45 130.42 16.73 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 10.0 113.542 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.1 t -92.88 125.48 55.07 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.455 1.902 . . . . 10.0 109.104 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.4 163.93 4.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 124.42 3.413 . . . . 10.0 114.545 173.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.66 135.14 51.0 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.639 2.226 . . . . 10.0 111.431 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -113.6 49.49 0.97 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.468 1.507 . . . . 10.0 109.657 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.5 133.06 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 121.115 -0.991 . . . . 10.0 110.659 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.12 161.19 38.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.479 1.112 . . . . 10.0 111.948 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 115.11 22.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.74 0.416 . . . . 10.0 110.19 169.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -67.9 -27.66 66.83 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.527 0.331 . . . . 10.0 110.735 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -160.15 134.82 7.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 129.042 2.937 . . . . 10.0 106.152 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.4 p -90.18 -10.41 44.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.89 1.811 . . . . 10.0 115.89 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.0 m -148.05 117.2 6.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 10.0 108.824 175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.4 mmm -107.61 157.69 17.86 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.94 2.096 . . . . 10.0 110.733 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -149.6 153.13 36.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.155 1.382 . . . . 10.0 110.971 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.68 156.91 26.21 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.904 0.859 . . . . 10.0 113.289 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 123.54 40.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.163 -0.926 . . . . 10.0 111.563 -171.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 169.21 12.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.391 1.076 . . . . 10.0 111.729 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.292 0.0 OUTLIER 71.74 -15.83 0.42 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 128.193 2.597 . . . . 10.0 115.842 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.63 -6.59 43.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.749 1.62 . . . . 10.0 114.141 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m 65.13 30.15 11.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.004 1.322 . . . . 10.0 112.878 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -75.12 169.47 17.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.041 -1.037 . . . . 10.0 113.382 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -120.8 145.19 47.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.205 1.402 . . . . 10.0 110.737 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.63 138.0 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.203 1.001 . . . . 10.0 111.333 -169.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.4 m -108.53 149.33 28.99 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.23 1.012 . . . . 10.0 111.483 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 pp -158.77 166.32 32.24 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.817 2.047 . . . . 10.0 109.417 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.64 143.57 13.15 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 116.327 1.973 . . . . 10.0 116.327 -174.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -112.71 72.62 0.78 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.111 -1.441 . . . . 10.0 107.111 168.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -57.76 118.4 5.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.856 1.662 . . . . 10.0 114.74 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.93 154.61 18.23 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.668 1.187 . . . . 10.0 112.828 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -163.57 158.89 21.22 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.531 1.932 . . . . 10.0 110.019 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.29 171.25 33.96 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.254 1.407 . . . . 10.0 112.608 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.53 94.02 7.62 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.207 1.003 . . . . 10.0 111.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.34 156.15 99.81 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 119.636 0.906 . . . . 10.0 113.377 10.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -40.56 132.5 1.71 Allowed Pre-proline 0 N--CA 1.48 1.042 0 C-N-CA 126.223 1.809 . . . . 10.0 112.443 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.46 162.05 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.237 1.958 . . . . 10.0 113.534 -170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -95.79 146.52 24.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.585 1.554 . . . . 10.0 107.056 169.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ptm -154.25 158.12 39.76 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.0 p -154.26 170.76 20.49 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.219 1.808 . . . . 10.0 109.612 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.98 165.19 37.18 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.425 0.69 . . . . 10.0 112.612 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -133.5 149.52 51.71 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -94.84 51.58 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.169 1.788 . . . . 10.0 110.508 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 69.47 7.22 6.11 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.014 1.726 . . . . 10.0 113.775 -170.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.8 -35.24 0.12 Allowed Glycine 0 CA--C 1.537 1.454 0 N-CA-C 116.362 1.305 . . . . 10.0 116.362 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.67 150.52 37.77 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.314 1.046 . . . . 10.0 112.378 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.84 134.58 10.84 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.35 2.033 . . . . 10.0 113.684 -169.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.9 mt -99.68 53.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 128.542 2.737 . . . . 10.0 107.073 171.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.04 82.52 0.32 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.097 1.359 . . . . 10.0 111.821 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.31 -13.15 0.8 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.777 2.031 . . . . 10.0 116.333 -169.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.14 -5.32 56.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.87 1.668 . . . . 10.0 113.215 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -143.27 -32.43 0.46 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.818 1.647 . . . . 10.0 113.416 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -88.88 100.87 13.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.714 1.205 . . . . 10.0 109.254 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -138.15 9.24 2.75 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.141 1.376 . . . . 10.0 114.054 -167.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -43.13 -35.41 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 116.989 2.218 . . . . 10.0 116.989 -168.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -157.44 48.38 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.924 1.29 . . . . 10.0 110.931 171.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.5 153.84 4.4 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.276 1.214 . . . . 10.0 114.276 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -166.71 166.5 15.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.106 2.162 . . . . 10.0 112.504 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -148.4 177.08 9.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.376 1.07 . . . . 10.0 113.394 -169.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.16 162.17 16.86 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.237 1.815 . . . . 10.0 112.939 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.07 173.17 12.86 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.688 1.195 . . . . 10.0 111.842 173.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 56.47 27.23 11.88 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.467 1.507 . . . . 10.0 113.123 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.58 -169.19 41.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.704 2.573 . . . . 10.0 110.941 -172.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -144.3 32.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.291 1.036 . . . . 10.0 111.366 -172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 mp0 -78.56 90.78 4.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.885 0.85 . . . . 10.0 110.956 -170.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.52 101.76 8.43 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.203 1.801 . . . . 10.0 109.396 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.72 125.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -107.04 141.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 125.716 1.606 . . . . 10.0 108.277 172.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -119.79 153.69 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.171 0.988 . . . . 10.0 110.184 169.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 60.46 53.06 4.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.664 1.586 . . . . 10.0 111.656 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.73 141.27 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 124.291 1.036 . . . . 10.0 111.634 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.5 -176.2 5.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.531 1.532 . . . . 10.0 111.559 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -57.17 -21.36 32.4 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.757 1.223 . . . . 10.0 114.091 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.7 p -72.27 -15.26 61.91 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.277 1.831 . . . . 10.0 114.51 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -85.58 -11.84 53.02 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.952 1.464 . . . . 10.0 114.952 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.41 135.05 57.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.359 -0.838 . . . . 10.0 112.258 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.19 163.07 25.71 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.502 1.121 . . . . 10.0 113.528 -170.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -122.55 88.62 2.96 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.502 -2.036 . . . . 10.0 105.502 169.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.49 131.04 44.9 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.906 1.282 . . . . 10.0 111.739 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.8 124.34 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 106.223 -1.769 . . . . 10.0 106.223 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -126.08 131.85 52.04 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.021 0.929 . . . . 10.0 112.154 -169.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mm -122.64 142.9 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.313 1.845 . . . . 10.0 109.669 -170.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.75 45.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.28 0.632 . . . . 10.0 111.514 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -149.41 140.6 23.08 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.748 1.219 . . . . 10.0 110.43 -172.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.33 -164.73 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.387 1.075 . . . . 10.0 111.036 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -16.53 58.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.07 1.348 . . . . 10.0 113.254 -174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.24 -27.33 14.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.343 1.857 . . . . 10.0 113.938 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.33 26.0 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 115.718 1.047 . . . . 10.0 115.718 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -154.45 143.63 21.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.826 1.65 . . . . 10.0 110.266 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -156.18 170.65 21.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.108 0.963 . . . . 10.0 112.629 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -154.67 159.07 40.54 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.902 1.281 . . . . 10.0 114.266 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.0 -179.71 6.8 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.611 1.964 . . . . 10.0 111.953 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.0 m -147.13 140.6 25.52 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 10.0 110.462 -171.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -146.85 134.7 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.657 1.583 . . . . 10.0 110.162 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -89.41 145.84 25.06 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.504 -1.373 . . . . 10.0 111.219 170.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.4 tp -132.04 99.95 4.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.466 1.107 . . . . 10.0 109.682 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -86.71 162.57 17.81 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.536 0.684 . . . . 10.0 110.524 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -146.51 134.08 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.614 0.765 . . . . 10.0 111.013 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -122.48 143.71 49.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.241 1.416 . . . . 10.0 112.762 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.2 49.07 0.91 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.201 1.401 . . . . 10.0 111.793 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.05 2.14 . . . . 10.0 111.484 -171.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -161.85 162.2 29.25 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.983 1.713 . . . . 10.0 111.405 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.78 2.11 20.93 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.964 1.468 . . . . 10.0 114.964 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.95 -33.31 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.571 0.748 . . . . 10.0 112.849 -175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.29 21.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -151.31 155.16 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 127.48 2.312 . . . . 10.0 107.438 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.7 mt -85.33 83.27 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 120.696 -1.252 . . . . 10.0 109.692 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -145.82 90.5 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.649 1.58 . . . . 10.0 109.533 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -77.6 122.63 25.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.114 0.966 . . . . 10.0 110.083 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.57 128.54 35.84 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 127.199 2.2 . . . . 10.0 110.591 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -56.13 164.82 4.63 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.671 2.914 . . . . 10.0 114.835 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.51 155.64 69.41 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 121.145 1.23 . . . . 10.0 111.94 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -137.57 50.31 1.96 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.978 1.711 . . . . 10.0 111.481 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.66 133.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.78 -0.575 . . . . 10.0 111.325 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -141.81 143.94 33.67 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 10.0 111.19 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.31 108.76 14.18 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -73.49 -35.53 65.66 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.813 0.845 . . . . 10.0 112.117 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -102.04 -171.37 1.96 Allowed 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.033 1.733 . . . . 10.0 109.044 168.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.7 p -149.17 -38.6 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -155.21 110.69 3.07 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.423 1.489 . . . . 10.0 109.761 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -96.66 165.92 11.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 126.284 1.834 . . . . 10.0 110.637 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -143.7 160.72 40.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.081 0.953 . . . . 10.0 112.094 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.73 153.48 19.02 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.598 1.559 . . . . 10.0 112.638 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -98.14 95.88 7.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.719 1.208 . . . . 10.0 110.054 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 147.03 7.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.489 1.663 . . . . 10.0 115.489 -175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 77.89 4.39 2.9 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.21 1.804 . . . . 10.0 114.4 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -83.46 -2.98 57.14 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 121.011 -1.056 . . . . 10.0 113.186 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m 64.94 25.47 12.75 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.997 1.719 . . . . 10.0 114.47 175.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -80.12 178.64 8.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.244 1.418 . . . . 10.0 112.525 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 p -118.82 153.21 34.86 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.094 1.357 . . . . 10.0 110.732 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.21 136.68 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.75 1.62 . . . . 10.0 109.765 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -113.93 146.02 40.67 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.43 -0.794 . . . . 10.0 110.259 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -155.54 166.74 32.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.367 2.267 . . . . 10.0 109.842 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.18 148.51 15.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -169.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.9 t -140.71 100.27 3.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.795 2.838 . . . . 10.0 107.782 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -86.11 132.65 33.99 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.887 -1.133 . . . . 10.0 112.96 -170.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.97 155.47 18.63 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.639 1.209 . . . . 10.0 112.103 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -160.66 158.0 28.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.121 1.769 . . . . 10.0 110.648 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.47 168.22 27.29 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.558 2.028 . . . . 10.0 111.433 -174.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -148.15 97.15 3.89 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 124.298 1.039 . . . . 10.0 112.407 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -64.5 152.59 74.76 Favored 'Cis proline' 0 CA--C 1.533 0.451 0 CA-C-N 119.784 0.959 . . . . 10.0 114.383 4.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.12 141.15 20.66 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.979 1.312 . . . . 10.0 114.176 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -89.79 166.54 4.93 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.563 2.176 . . . . 10.0 113.267 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -99.96 129.76 46.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.642 1.577 . . . . 10.0 107.902 169.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -139.02 154.47 48.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -171.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.7 p -153.21 167.36 29.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.549 1.539 . . . . 10.0 111.073 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.8 OUTLIER -154.06 160.37 41.96 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.549 -0.719 . . . . 10.0 112.165 175.206 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.5 p -121.0 155.38 34.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.765 1.226 . . . . 10.0 113.412 -171.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -100.63 55.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.1 1.76 . . . . 10.0 111.613 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.1 t70 80.15 -7.77 1.6 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.389 2.676 . . . . 10.0 112.89 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.11 -32.1 0.08 OUTLIER Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.341 0.973 . . . . 10.0 115.344 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.64 151.61 38.61 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.627 1.171 . . . . 10.0 112.009 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.75 148.23 17.63 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 121.995 1.797 . . . . 10.0 113.453 -171.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.2 mt -111.12 35.0 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 127.778 2.431 . . . . 10.0 109.464 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -79.69 116.04 19.65 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 119.916 -1.74 . . . . 10.0 110.304 -172.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -69.85 1.4 4.44 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -169.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -78.66 -12.96 60.04 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.348 1.059 . . . . 10.0 112.235 169.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -152.48 -2.99 0.25 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 125.015 1.326 . . . . 10.0 113.878 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -136.3 107.9 6.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.736 1.214 . . . . 10.0 109.918 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -151.33 12.26 0.64 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.431 1.892 . . . . 10.0 112.104 -169.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -40.24 -40.05 1.05 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 129.046 2.938 . . . . 10.0 115.35 -169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -158.19 47.07 0.35 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.812 1.645 . . . . 10.0 111.161 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -168.15 146.37 4.38 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -169.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.5 m -149.04 145.74 27.42 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.422 1.489 . . . . 10.0 111.416 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.1 5.26 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.29 1.959 . . . . 10.0 116.29 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -98.17 -172.41 2.35 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.583 1.953 . . . . 10.0 114.277 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -78.89 -16.97 56.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.42 1.488 . . . . 10.0 113.568 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -86.31 -5.75 59.11 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.638 1.575 . . . . 10.0 111.971 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.51 15.71 66.5 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.237 1.398 . . . . 10.0 113.448 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.9 p -88.56 -71.61 0.58 Allowed 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 123.904 0.882 . . . . 10.0 112.203 -169.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.36 80.38 1.38 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.228 1.411 . . . . 10.0 114.101 -171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -79.33 115.08 18.76 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.187 0.994 . . . . 10.0 110.007 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 mt -98.92 124.14 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 106.818 -1.549 . . . . 10.0 106.818 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.78 124.99 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 126.157 1.783 . . . . 10.0 108.524 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -100.13 162.02 13.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.063 0.545 . . . . 10.0 111.364 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 62.24 49.73 4.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.028 1.731 . . . . 10.0 111.348 171.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -69.03 140.21 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.657 1.183 . . . . 10.0 111.782 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.88 179.14 8.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.81 1.644 . . . . 10.0 112.452 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -62.69 -18.44 62.43 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.301 -1.5 . . . . 10.0 113.486 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.3 p -76.17 -6.58 51.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 126.147 1.779 . . . . 10.0 114.051 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -92.14 -2.12 56.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.99 125.0 21.8 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.056 -1.027 . . . . 10.0 109.514 169.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.14 152.16 24.05 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.2 1.185 . . . . 10.0 114.2 -168.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -108.03 95.67 5.84 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 168.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -80.77 75.51 7.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.915 1.686 . . . . 10.0 112.71 -169.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.99 125.76 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.53 -1.356 . . . . 10.0 108.355 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -116.35 142.46 46.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.155 1.382 . . . . 10.0 113.473 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.39 144.64 31.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 126.707 2.003 . . . . 10.0 109.333 -170.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.18 151.72 44.06 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.238 0.615 . . . . 10.0 111.198 172.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -148.5 142.22 25.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.268 1.427 . . . . 10.0 109.772 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.29 -172.75 4.01 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.85 -1.156 . . . . 10.0 111.793 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -63.84 -23.22 67.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.34 -26.91 18.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.869 1.668 . . . . 10.0 114.481 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.98 -158.29 26.99 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -149.51 149.53 30.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.195 1.798 . . . . 10.0 109.776 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -153.91 165.29 36.54 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.277 1.031 . . . . 10.0 112.409 -176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.43 155.0 29.7 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.68 -174.2 4.7 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.817 2.447 . . . . 10.0 110.813 173.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.2 m -153.67 132.34 12.25 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 119.432 -2.043 . . . . 10.0 112.101 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.97 179.07 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 127.091 2.156 . . . . 10.0 109.491 169.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -150.42 158.75 44.5 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.701 -1.25 . . . . 10.0 110.52 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.5 tp -148.34 117.23 6.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.392 1.877 . . . . 10.0 108.9 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -108.61 124.91 51.24 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.074 1.35 . . . . 10.0 110.872 175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.18 130.94 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.475 0.71 . . . . 10.0 111.241 -170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -119.71 177.0 5.12 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.856 2.062 . . . . 10.0 111.046 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.19 33.98 1.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.734 0.778 . . . . 10.0 112.57 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 C--O 1.251 1.181 0 C-N-CA 128.236 2.615 . . . . 10.0 112.463 -177.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.887 -0.485 . . . . 10.0 111.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -168.07 162.42 13.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.64 1.576 . . . . 10.0 111.539 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.81 -8.46 34.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.737 1.215 . . . . 10.0 112.608 171.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -86.24 65.86 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 126.175 1.79 . . . . 10.0 110.129 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -171.41 -177.49 2.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.816 2.846 . . . . 10.0 109.888 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.97 23.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.075 -1.641 . . . . 10.0 112.538 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mm -140.39 99.55 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 129.651 3.18 . . . . 10.0 107.023 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 t -89.85 79.5 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.7 112.03 1.66 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.757 1.223 . . . . 10.0 113.183 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.49 130.94 24.48 Favored Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 128.981 2.912 . . . . 10.0 109.383 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -53.66 156.37 11.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 124.392 3.395 . . . . 10.0 114.122 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -82.02 148.11 15.14 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.44 2.093 . . . . 10.0 109.547 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 m -139.78 80.32 1.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.688 0.795 . . . . 10.0 110.872 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.84 147.03 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.831 0.824 . . . . 10.0 111.237 172.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -143.8 167.39 22.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.9 1.68 . . . . 10.0 109.517 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 134.99 33.47 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.438 -0.789 . . . . 10.0 110.98 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -72.91 -28.37 62.42 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.953 0.501 . . . . 10.0 111.605 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -168.61 153.2 6.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.248 2.619 . . . . 10.0 109.502 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 p -85.48 -20.94 28.96 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -169.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -137.31 135.68 37.3 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.58 1.552 . . . . 10.0 110.291 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.6 mmm -119.03 162.63 18.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.296 2.639 . . . . 10.0 110.603 170.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -144.69 150.14 36.82 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.547 1.539 . . . . 10.0 109.446 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.38 153.71 22.01 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.024 0.93 . . . . 10.0 111.7 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -100.7 119.22 38.27 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.176 0.99 . . . . 10.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 171.88 12.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.088 1.355 . . . . 10.0 112.662 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 66.61 -6.47 0.52 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.164 2.586 . . . . 10.0 115.135 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.36 -4.91 24.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.734 1.614 . . . . 10.0 114.292 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.0 p 62.25 34.56 15.9 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.091 1.357 . . . . 10.0 113.843 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -58.19 160.45 5.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.678 1.191 . . . . 10.0 114.0 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -111.58 136.41 50.83 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.858 1.263 . . . . 10.0 109.376 169.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.23 131.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.587 1.155 . . . . 10.0 111.73 -169.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.2 m -106.58 140.1 40.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.824 1.25 . . . . 10.0 109.877 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.62 165.99 34.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.644 1.578 . . . . 10.0 110.417 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.02 149.19 17.61 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 118.119 2.636 . . . . 10.0 118.119 -169.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.51 97.27 6.35 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 105.969 -1.863 . . . . 10.0 105.969 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.29 97.76 3.07 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.348 -0.845 . . . . 10.0 112.702 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.27 151.65 19.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.185 1.394 . . . . 10.0 112.706 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -145.28 166.16 26.33 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.591 1.556 . . . . 10.0 110.2 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.96 162.39 19.77 Favored Glycine 0 N--CA 1.486 2.025 0 C-N-CA 125.626 1.584 . . . . 10.0 112.479 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -144.5 115.45 5.31 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.3 1.04 . . . . 10.0 111.308 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.39 155.7 9.47 Favored 'Cis proline' 0 C--O 1.243 0.766 0 CA-C-N 120.978 1.385 . . . . 10.0 114.483 -9.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -41.43 132.75 2.13 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 126.216 1.806 . . . . 10.0 113.004 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.88 158.56 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.461 2.107 . . . . 10.0 112.96 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -101.26 120.92 40.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.747 1.219 . . . . 10.0 108.169 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -142.99 144.69 32.41 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.444 1.02 . . . . 10.0 112.897 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.4 p -148.9 168.82 22.01 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.601 1.56 . . . . 10.0 110.931 -176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -154.72 156.19 35.92 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.961 1.467 . . . . 10.0 114.961 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -122.18 154.16 37.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.264 1.426 . . . . 10.0 112.704 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -97.25 51.54 1.1 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 10.0 111.411 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t0 59.41 20.65 8.98 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.666 1.986 . . . . 10.0 114.479 -171.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.75 -25.27 0.07 OUTLIER Glycine 0 N--CA 1.483 1.788 0 N-CA-C 117.764 1.865 . . . . 10.0 117.764 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -146.54 153.56 47.51 Favored Pre-proline 0 N--CA 1.474 0.74 0 CA-C-N 118.933 1.367 . . . . 10.0 112.043 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.92 145.55 22.52 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.666 2.244 . . . . 10.0 113.26 -169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.7 mt -106.01 35.75 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 128.65 2.78 . . . . 10.0 108.585 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -45.34 95.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.642 2.777 . . . . 10.0 115.353 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -19.64 64.26 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.098 1.359 . . . . 10.0 113.156 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.7 -2.1 42.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.406 1.883 . . . . 10.0 114.421 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.69 -31.69 0.85 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.738 1.215 . . . . 10.0 113.612 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -101.43 141.12 34.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.375 1.07 . . . . 10.0 111.544 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -148.44 10.61 0.86 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.912 2.085 . . . . 10.0 111.353 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.47 -19.47 65.59 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.118 1.525 . . . . 10.0 115.118 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -164.2 47.16 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.834 1.253 . . . . 10.0 113.98 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -166.31 159.91 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 119.942 -1.723 . . . . 10.0 114.903 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -148.59 152.64 37.13 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.646 2.779 . . . . 10.0 109.85 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -152.6 176.45 11.71 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 -169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -105.63 175.84 5.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.994 1.717 . . . . 10.0 113.808 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.39 -23.55 65.58 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.52 -9.06 59.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.135 1.374 . . . . 10.0 112.078 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.31 1.3 64.12 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.561 1.553 . . . . 10.0 114.69 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.8 p -82.29 -63.48 1.37 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 126.191 1.796 . . . . 10.0 114.571 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 44.8 mt-10 -74.03 101.67 3.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.121 1.369 . . . . 10.0 109.774 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -97.69 119.87 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.32 -0.854 . . . . 10.0 109.292 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -98.74 117.03 43.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.148 -1.427 . . . . 10.0 107.148 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.5 125.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 126.338 1.855 . . . . 10.0 107.6 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -100.27 166.54 10.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.962 0.905 . . . . 10.0 110.514 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.269 16.7 pttp 49.43 50.82 17.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.136 2.174 . . . . 10.0 113.808 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.25 143.09 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.124 1.37 . . . . 10.0 111.813 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -153.58 177.48 10.9 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.026 1.731 . . . . 10.0 110.83 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -44.06 -29.87 0.66 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.237 2.215 . . . . 10.0 115.333 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -73.74 -9.86 59.09 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.8 1.64 . . . . 10.0 114.717 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -91.06 -1.56 57.77 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 120.666 1.575 . . . . 10.0 114.288 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.08 138.94 57.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.244 0.618 . . . . 10.0 111.408 172.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.58 163.87 27.03 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.69 1.366 . . . . 10.0 114.69 -169.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.1 86.69 2.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -67.95 132.85 48.07 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.129 1.371 . . . . 10.0 111.956 -173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.7 mt -120.43 124.92 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 106.804 -1.554 . . . . 10.0 106.804 170.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.19 130.31 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.71 0.804 . . . . 10.0 112.436 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.33 135.07 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.157 1.383 . . . . 10.0 108.7 -170.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.44 148.69 42.95 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.491 1.117 . . . . 10.0 110.445 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -152.28 142.25 22.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.468 1.107 . . . . 10.0 108.71 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -150.11 -179.48 7.21 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 121.416 -0.803 . . . . 10.0 109.746 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -20.37 63.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.24 -16.35 21.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.13 1.772 . . . . 10.0 115.513 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.72 -164.8 33.49 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.856 1.502 . . . . 10.0 116.856 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -163.58 134.18 4.48 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.585 . . . . 10.0 110.975 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -148.51 173.65 12.91 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.751 1.62 . . . . 10.0 112.192 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -156.42 158.19 36.87 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 115.975 1.843 . . . . 10.0 115.975 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.48 -179.63 6.54 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.732 2.413 . . . . 10.0 111.95 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -153.35 142.21 21.12 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.405 1.482 . . . . 10.0 112.113 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -146.77 139.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 126.511 1.924 . . . . 10.0 110.331 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -99.86 144.47 28.88 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 119.86 -1.775 . . . . 10.0 111.848 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.5 tp -125.27 116.68 22.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.63 1.572 . . . . 10.0 109.617 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -90.15 137.99 31.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.153 1.381 . . . . 10.0 111.491 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.7 104.26 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.804 0.842 . . . . 10.0 110.39 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -118.06 139.02 51.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.633 1.573 . . . . 10.0 113.733 -169.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.96 52.26 2.47 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.465 1.106 . . . . 10.0 111.803 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.249 1.054 0 C-N-CA 127.807 2.443 . . . . 10.0 112.048 -170.334 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 N-CA-C 111.823 -0.511 . . . . 10.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -145.48 171.28 14.87 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.909 1.684 . . . . 10.0 112.737 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.41 12.32 25.31 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.992 2.117 . . . . 10.0 112.977 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.9 mt -48.8 136.51 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 121.072 -1.017 . . . . 10.0 109.745 170.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -83.65 33.72 0.48 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.499 0.925 . . . . 10.0 113.499 -172.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -139.33 25.55 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 127.761 2.424 . . . . 10.0 109.623 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -120.0 159.99 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 129.249 3.02 . . . . 10.0 109.1 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -81.11 73.18 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 122.354 1.073 . . . . 10.0 109.348 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.1 80.31 9.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.182 2.193 . . . . 10.0 110.972 -172.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.82 127.78 58.72 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.144 1.377 . . . . 10.0 111.389 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -57.53 170.94 1.56 Allowed 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 125.205 3.937 . . . . 10.0 113.733 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -86.35 83.65 1.19 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 125.247 3.965 . . . . 10.0 108.061 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -79.33 56.12 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 10.0 112.923 -169.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.38 133.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.345 0.382 0 CA-C-O 121.825 0.821 . . . . 10.0 112.472 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.99 168.0 20.62 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.425 1.89 . . . . 10.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.33 129.49 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.291 0.636 . . . . 10.0 110.911 172.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -77.33 -23.38 50.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -158.8 135.79 9.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.521 1.928 . . . . 10.0 108.444 172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -75.35 -24.78 57.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.392 1.256 . . . . 10.0 114.392 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -151.9 115.09 4.72 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.433 1.493 . . . . 10.0 110.273 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.8 mmm -103.59 156.23 17.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.867 2.467 . . . . 10.0 110.875 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -140.45 151.86 45.21 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.267 1.427 . . . . 10.0 110.557 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.99 29.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.751 1.621 . . . . 10.0 112.733 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -103.35 128.22 50.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.623 0.769 . . . . 10.0 111.364 -172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.88 167.72 15.73 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.877 0.695 . . . . 10.0 112.877 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 74.7 -9.5 1.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.517 2.727 . . . . 10.0 114.4 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -98.25 -10.19 24.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.922 1.289 . . . . 10.0 113.592 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p 58.35 27.82 15.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.706 1.603 . . . . 10.0 113.92 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.96 165.3 23.68 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.9 m -109.79 144.29 38.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.381 1.872 . . . . 10.0 109.616 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -148.67 136.45 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.552 1.141 . . . . 10.0 111.132 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 m -105.28 141.66 36.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.57 0.623 . . . . 10.0 111.732 174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -142.11 174.11 10.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.657 1.983 . . . . 10.0 108.989 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.41 145.41 8.18 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 -175.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.25 102.04 8.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.168 -1.378 . . . . 10.0 109.184 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.59 88.66 3.9 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.904 1.282 . . . . 10.0 114.389 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.15 142.52 27.65 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.623 1.169 . . . . 10.0 110.956 168.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -164.44 152.05 11.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.858 1.663 . . . . 10.0 109.0 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.8 172.48 41.47 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.667 1.127 . . . . 10.0 112.965 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.15 116.85 5.66 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-O 118.223 -0.894 . . . . 10.0 112.065 -172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -55.39 157.28 20.0 Favored 'Cis proline' 0 CA--C 1.545 1.065 0 CA-C-N 120.381 1.172 . . . . 10.0 114.823 -7.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -46.4 132.88 7.77 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 126.166 1.786 . . . . 10.0 112.962 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -85.62 160.97 10.81 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.914 2.409 . . . . 10.0 113.655 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -105.23 131.98 52.01 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.976 1.31 . . . . 10.0 107.914 169.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -142.65 155.1 44.88 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.612 -0.68 . . . . 10.0 112.039 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 p -151.27 173.33 14.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.507 1.923 . . . . 10.0 110.908 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -162.8 165.91 24.83 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 -171.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.9 p -124.37 158.03 33.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.275 1.03 . . . . 10.0 113.235 -171.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -109.99 57.45 0.61 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.492 2.317 . . . . 10.0 111.337 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 77.61 -6.2 2.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 128.357 2.663 . . . . 10.0 114.574 -170.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.24 -32.45 0.14 Allowed Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.491 0.957 . . . . 10.0 115.491 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.19 152.92 40.66 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.71 1.204 . . . . 10.0 111.055 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 133.02 3.27 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 121.883 1.722 . . . . 10.0 115.729 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.45 49.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 129.313 3.045 . . . . 10.0 107.891 170.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.55 107.46 6.7 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.564 -1.335 . . . . 10.0 112.723 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -55.89 -14.04 2.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.36 2.264 . . . . 10.0 114.628 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -85.27 -13.72 48.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.467 1.507 . . . . 10.0 113.898 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.72 -23.56 0.05 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.11 125.11 40.41 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 119.292 0.951 . . . . 10.0 111.768 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -147.05 9.0 0.96 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.538 1.535 . . . . 10.0 112.662 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -37.68 -37.11 0.2 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.17 2.588 . . . . 10.0 116.535 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -153.74 48.4 0.65 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.591 0.757 . . . . 10.0 112.81 169.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -165.84 155.48 12.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.569 2.063 . . . . 10.0 116.569 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.8 m -141.57 153.7 44.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.106 2.562 . . . . 10.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -142.97 173.88 11.16 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 117.567 2.432 . . . . 10.0 117.567 -168.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -91.61 -176.12 4.4 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 126.444 1.898 . . . . 10.0 114.768 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -75.73 -16.7 60.11 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.015 1.487 . . . . 10.0 115.015 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -90.16 -13.39 35.73 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.089 1.356 . . . . 10.0 111.552 171.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 3.27 79.78 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.48 1.991 . . . . 10.0 113.214 -172.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.4 p -83.36 -42.43 17.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.82 1.785 . . . . 10.0 115.82 -169.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.53 115.26 22.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.561 0.744 . . . . 10.0 109.811 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.96 109.7 22.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.72 115.83 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.01 143.05 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 126.049 1.74 . . . . 10.0 107.692 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -118.5 156.97 28.15 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.325 1.45 . . . . 10.0 111.746 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.28 19.6 ptpt 43.99 60.86 2.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.96 2.104 . . . . 10.0 114.99 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.14 143.5 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.354 1.462 . . . . 10.0 110.952 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.17 -176.92 6.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.82 1.648 . . . . 10.0 109.89 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.27 -20.87 60.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.667 1.587 . . . . 10.0 113.497 -171.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.2 p -80.86 -5.59 57.52 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.701 1.601 . . . . 10.0 114.77 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.38 -19.87 26.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 10.0 113.143 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.77 133.83 31.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.006 1.723 . . . . 10.0 112.216 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.44 160.76 15.82 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.117 1.155 . . . . 10.0 114.117 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -102.5 117.86 35.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.486 1.115 . . . . 10.0 108.196 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.14 85.63 3.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.304 1.842 . . . . 10.0 110.959 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 72.7 mt -89.72 130.27 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.35 137.21 53.44 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.928 1.291 . . . . 10.0 112.411 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.8 143.63 39.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 126.631 1.972 . . . . 10.0 109.328 -172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.36 155.19 45.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.265 1.026 . . . . 10.0 112.782 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -150.46 145.62 26.14 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.114 1.766 . . . . 10.0 109.261 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -154.39 -163.42 1.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.193 -0.942 . . . . 10.0 111.21 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -20.05 57.75 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.743 1.617 . . . . 10.0 112.698 -174.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.72 -17.51 16.25 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.893 2.077 . . . . 10.0 113.86 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.57 -160.29 27.69 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 120.267 1.394 . . . . 10.0 116.48 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -156.58 143.77 18.91 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.839 2.055 . . . . 10.0 109.643 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -160.18 176.35 11.87 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.744 1.218 . . . . 10.0 112.434 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -158.18 154.73 27.84 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.236 1.414 . . . . 10.0 113.786 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.82 173.39 11.58 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.007 2.123 . . . . 10.0 113.78 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.6 m -142.78 138.26 30.3 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.345 1.058 . . . . 10.0 111.529 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.2 mt -137.21 158.58 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 128.612 2.765 . . . . 10.0 108.627 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -118.51 141.87 48.15 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 119.615 -1.928 . . . . 10.0 109.32 169.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -124.98 107.58 10.97 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.928 -1.108 . . . . 10.0 108.519 171.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -100.44 159.56 15.05 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.725 0.81 . . . . 10.0 112.963 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.1 t -138.91 127.87 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 C-N-CA 124.703 1.201 . . . . 10.0 110.323 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -107.33 143.11 36.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.343 1.057 . . . . 10.0 112.818 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.06 42.68 1.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.464 1.506 . . . . 10.0 112.709 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 126.796 2.038 . . . . 10.0 111.049 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -165.01 165.61 19.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 125.875 1.67 . . . . 10.0 112.282 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.41 154.49 21.13 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.059 0.944 . . . . 10.0 111.416 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mm -138.63 154.89 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.779 1.632 . . . . 10.0 109.634 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -79.35 36.72 0.31 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 120.101 -1.625 . . . . 10.0 113.529 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.1 t -147.67 160.13 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 129.89 3.276 . . . . 10.0 107.584 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.57 97.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 124.153 0.981 . . . . 10.0 109.604 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -146.15 -38.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.812 2.045 . . . . 10.0 110.525 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -80.63 161.3 24.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.058 0.943 . . . . 10.0 110.055 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -150.75 128.88 5.88 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 126.118 1.767 . . . . 10.0 109.055 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.28 158.86 3.28 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.224 3.283 . . . . 10.0 114.261 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.18 158.6 30.1 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.765 2.31 . . . . 10.0 111.16 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -145.48 61.71 1.28 Allowed 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.18 0.992 . . . . 10.0 110.641 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -79.13 133.12 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.545 1.164 . . . . 10.0 111.696 171.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -135.07 169.11 17.93 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.16 2.184 . . . . 10.0 110.051 -175.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 115.49 24.95 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.823 0.849 . . . . 10.0 110.445 170.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -67.37 -27.66 67.3 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.015 0.526 . . . . 10.0 111.59 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -161.16 124.82 3.34 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.56 2.344 . . . . 10.0 107.436 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -74.69 -12.92 60.54 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -169.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.7 m -148.17 119.67 7.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.79 1.636 . . . . 10.0 108.788 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -118.35 155.07 31.31 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 126.914 2.086 . . . . 10.0 110.584 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -143.82 164.66 29.89 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.647 1.179 . . . . 10.0 110.112 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.59 157.67 17.21 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.13 0.972 . . . . 10.0 111.48 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -97.55 117.99 33.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.254 1.022 . . . . 10.0 110.432 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.74 165.81 20.62 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 72.16 -1.12 3.0 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.756 2.423 . . . . 10.0 114.17 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -96.43 -7.72 34.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.075 1.35 . . . . 10.0 113.579 170.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 m 52.41 43.53 30.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.816 1.246 . . . . 10.0 111.237 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.19 169.06 17.84 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.253 1.021 . . . . 10.0 112.713 -170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -115.37 134.29 55.24 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.423 1.489 . . . . 10.0 111.228 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -147.2 137.85 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.868 0.867 . . . . 10.0 111.442 -169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -108.88 143.31 38.27 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.34 1.056 . . . . 10.0 110.837 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.55 166.16 34.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.954 2.101 . . . . 10.0 111.051 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.15 149.11 7.26 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 118.971 2.952 . . . . 10.0 118.971 -168.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.3 m -107.27 94.62 5.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.523 1.529 . . . . 10.0 107.885 168.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -66.49 109.01 2.59 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.803 1.241 . . . . 10.0 111.735 -170.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.73 156.02 18.7 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.45 1.5 . . . . 10.0 113.476 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.23 162.11 33.64 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.047 1.739 . . . . 10.0 109.665 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.27 161.33 11.57 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.173 1.844 . . . . 10.0 110.018 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -134.21 149.11 70.46 Favored Pre-proline 0 N--CA 1.478 0.967 0 CA-C-N 118.143 0.971 . . . . 10.0 113.583 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -70.74 -9.49 12.97 Favored 'Cis proline' 0 C--N 1.361 1.224 0 N-CA-C 117.104 1.925 . . . . 10.0 117.104 4.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.68 156.8 29.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 130.119 3.368 . . . . 10.0 110.218 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -90.1 164.79 4.74 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.956 3.104 . . . . 10.0 112.279 168.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -141.18 132.3 26.33 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.338 1.455 . . . . 10.0 107.811 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -157.83 159.27 36.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.774 1.17 . . . . 10.0 113.936 -171.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -148.99 167.87 24.65 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.116 2.166 . . . . 10.0 111.094 174.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -157.46 159.54 37.38 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -126.32 156.26 40.7 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.727 1.211 . . . . 10.0 113.5 -169.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.99 52.38 1.45 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.035 2.134 . . . . 10.0 110.723 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 69.89 -17.52 0.25 Allowed 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 128.422 2.689 . . . . 10.0 114.735 -171.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.13 8.44 0.07 OUTLIER Glycine 0 CA--C 1.54 1.597 0 N-CA-C 117.701 1.84 . . . . 10.0 117.701 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -157.54 155.25 26.92 Favored Pre-proline 0 N--CA 1.491 1.587 0 CA-C-N 120.297 2.048 . . . . 10.0 112.179 174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -72.18 149.64 52.16 Favored 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 121.604 1.536 . . . . 10.0 115.288 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.62 23.48 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 127.139 2.176 . . . . 10.0 109.229 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -29.87 91.79 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.41 3.084 . . . . 10.0 116.244 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.89 -10.27 19.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.857 1.263 . . . . 10.0 114.171 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -88.79 -5.67 57.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.863 1.665 . . . . 10.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -153.29 -28.61 0.14 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.172 0.989 . . . . 10.0 113.335 -177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -92.05 131.4 37.36 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.424 0.556 . . . . 10.0 111.769 172.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -151.29 7.34 0.51 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.142 1.377 . . . . 10.0 112.747 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -29.46 -43.66 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 129.571 3.148 . . . . 10.0 116.801 -169.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -157.54 48.35 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.026 1.73 . . . . 10.0 110.019 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -165.77 156.46 13.33 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.9 p -161.51 167.8 24.81 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 126.107 1.763 . . . . 10.0 112.053 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -144.47 -174.05 4.2 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.694 1.739 . . . . 10.0 115.694 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.47 -178.3 5.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.194 1.398 . . . . 10.0 113.828 -174.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -31.67 144.85 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.173 2.589 . . . . 10.0 115.575 169.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 71.89 -10.59 0.85 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 128.293 2.637 . . . . 10.0 112.543 -169.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.83 4.78 85.99 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.886 1.231 . . . . 10.0 114.761 174.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -97.89 -40.02 8.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 116.443 2.016 . . . . 10.0 116.443 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 45.7 mt-10 -83.76 95.1 8.32 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.138 0.881 . . . . 10.0 112.744 -169.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.7 tp -86.08 115.62 23.78 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.124 1.37 . . . . 10.0 109.101 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.4 122.0 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.866 1.266 . . . . 10.0 107.772 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.6 mt -108.93 143.46 19.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.434 1.493 . . . . 10.0 108.811 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -121.94 156.86 32.5 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.241 1.017 . . . . 10.0 110.825 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm 65.12 43.79 3.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.168 2.187 . . . . 10.0 112.462 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.2 137.94 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.138 0.975 . . . . 10.0 112.233 -174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -147.32 -179.23 6.69 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.279 2.231 . . . . 10.0 110.169 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -57.59 -17.02 12.0 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.515 1.672 . . . . 10.0 115.515 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.8 p -73.26 -15.17 61.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.796 1.238 . . . . 10.0 114.088 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -83.94 -20.41 33.0 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -37.24 130.84 0.87 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.954 2.102 . . . . 10.0 112.706 173.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.81 175.1 14.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 123.658 1.694 . . . . 10.0 112.409 -173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.62 66.4 1.3 Allowed 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.646 -1.242 . . . . 10.0 107.646 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.49 134.93 11.58 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 112.82 -1.991 . . . . 10.0 114.138 -170.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.2 127.86 74.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 106.661 -1.607 . . . . 10.0 106.661 168.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 24.9 p -125.91 136.75 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.1 1.36 . . . . 10.0 112.34 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 64.9 mt -132.14 130.75 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.637 1.175 . . . . 10.0 108.733 -169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.99 149.21 37.74 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.831 0.824 . . . . 10.0 109.515 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -164.5 80.21 0.38 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.31 1.444 . . . . 10.0 109.546 -169.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.86 -176.22 3.97 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 122.99 1.376 . . . . 10.0 111.307 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -57.07 -22.44 39.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.628 2.084 . . . . 10.0 116.628 177.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.39 -16.51 14.72 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.34 1.607 . . . . 10.0 115.34 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.11 -157.05 21.68 Favored Glycine 0 N--CA 1.479 1.505 0 CA-C-N 121.083 1.765 . . . . 10.0 115.349 -177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -150.92 149.47 29.68 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.112 1.765 . . . . 10.0 110.922 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -163.01 166.81 23.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.746 1.219 . . . . 10.0 111.371 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.63 154.54 22.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.542 1.312 . . . . 10.0 114.542 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.05 177.07 9.44 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.258 1.423 . . . . 10.0 112.126 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -146.31 141.97 27.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.859 1.664 . . . . 10.0 110.985 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.97 144.01 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.29 1.436 . . . . 10.0 109.883 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -94.57 142.56 27.31 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.335 -1.478 . . . . 10.0 110.405 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.99 90.85 2.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 10.0 109.863 173.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -106.57 94.64 5.24 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.167 0.987 . . . . 10.0 109.795 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.24 141.37 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.435 1.094 . . . . 10.0 109.67 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -117.37 144.6 44.77 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.074 1.349 . . . . 10.0 112.171 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.25 47.28 1.03 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.042 1.337 . . . . 10.0 111.95 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.258 1.523 0 C-N-CA 127.889 2.476 . . . . 10.0 112.566 -174.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.497 -0.641 . . . . 10.0 111.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -92.61 153.2 19.15 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.569 1.548 . . . . 10.0 111.772 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -81.95 -14.23 56.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.64 1.176 . . . . 10.0 113.503 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 mt -100.83 57.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 125.216 1.407 . . . . 10.0 109.46 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -152.5 -172.48 4.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.92 2.888 . . . . 10.0 109.781 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.98 45.34 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.089 -1.632 . . . . 10.0 111.0 168.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt -146.66 140.83 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 130.023 3.329 . . . . 10.0 107.334 -170.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.54 130.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.63 1.172 . . . . 10.0 109.279 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -37.26 126.79 1.01 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.246 1.818 . . . . 10.0 114.377 173.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.01 121.6 45.99 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 126.627 1.971 . . . . 10.0 110.761 -173.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.89 164.57 4.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 124.479 3.452 . . . . 10.0 113.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -68.56 162.67 39.91 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.2 2.6 . . . . 10.0 112.05 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 p -150.34 78.63 1.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.211 1.805 . . . . 10.0 108.193 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -96.02 116.3 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.272 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.99 140.51 49.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.091 1.756 . . . . 10.0 113.087 -177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.78 102.27 10.67 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.867 0.867 . . . . 10.0 108.849 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 mtm105 -73.04 -34.82 66.54 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.137 0.575 . . . . 10.0 112.168 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -96.91 158.25 15.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.198 1.399 . . . . 10.0 108.684 167.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 m -111.85 -51.91 2.82 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.46 0.573 . . . . 10.0 111.798 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -144.08 121.38 11.59 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.92 1.288 . . . . 10.0 109.32 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -105.28 171.25 7.42 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.494 1.918 . . . . 10.0 110.638 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.43 163.71 38.24 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.101 1.361 . . . . 10.0 112.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.0 154.47 19.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.19 1.396 . . . . 10.0 113.063 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -98.17 104.36 16.39 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.306 1.442 . . . . 10.0 108.203 173.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.59 167.64 18.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.777 1.231 . . . . 10.0 112.355 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 79.49 -12.77 1.03 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.503 2.721 . . . . 10.0 112.878 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.1 mt -107.11 -2.37 21.04 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.212 1.805 . . . . 10.0 113.956 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.8 m 58.83 41.36 21.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.086 1.754 . . . . 10.0 112.989 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.35 156.0 23.58 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.409 1.084 . . . . 10.0 113.905 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -108.65 139.55 43.28 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.012 0.925 . . . . 10.0 110.467 170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.43 132.13 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.966 0.906 . . . . 10.0 111.786 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 m -98.37 137.82 36.52 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.485 1.114 . . . . 10.0 109.372 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -153.59 164.82 37.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.638 1.975 . . . . 10.0 109.545 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.5 149.84 24.39 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 117.535 2.42 . . . . 10.0 117.535 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.8 t -149.15 105.49 3.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.564 1.945 . . . . 10.0 108.898 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -87.44 136.93 32.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.095 0.958 . . . . 10.0 111.741 -169.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.37 145.37 39.01 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.002 0.819 . . . . 10.0 112.127 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -152.3 161.68 42.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.781 1.232 . . . . 10.0 110.997 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.46 36.45 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 127.114 2.293 . . . . 10.0 111.334 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -142.98 106.75 5.3 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 119.139 1.469 . . . . 10.0 112.532 -178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -61.36 153.27 57.96 Favored 'Cis proline' 0 CA--C 1.54 0.779 0 CA-C-N 120.297 1.142 . . . . 10.0 113.377 -2.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.41 142.73 38.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.459 1.103 . . . . 10.0 113.91 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -89.79 166.68 4.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.351 2.701 . . . . 10.0 112.856 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.7 m -99.32 131.39 45.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.264 -1.754 . . . . 10.0 106.264 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -137.37 149.64 47.12 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.21 -0.931 . . . . 10.0 112.571 -172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -150.11 171.07 17.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 10.0 110.121 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' CYS 0.288 1.3 p-90 -154.76 158.79 40.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.414 1.086 . . . . 10.0 113.766 -178.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.3 p -117.94 155.96 29.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.372 1.619 . . . . 10.0 115.372 -169.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -102.8 49.38 0.84 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.868 2.067 . . . . 10.0 110.111 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 24.8 t0 55.44 26.63 9.09 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 126.513 1.925 . . . . 10.0 114.078 -173.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.6 -19.07 0.05 OUTLIER Glycine 0 N--CA 1.475 1.29 0 O-C-N 119.236 -2.165 . . . . 10.0 117.354 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -157.47 160.36 30.34 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-N 118.406 1.103 . . . . 10.0 112.452 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -68.55 148.57 72.94 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.475 2.117 . . . . 10.0 115.925 -172.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.9 mt -100.97 44.9 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 129.295 3.038 . . . . 10.0 106.216 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.63 123.88 17.13 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 126.411 1.885 . . . . 10.0 112.209 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -67.05 -16.51 64.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.713 2.005 . . . . 10.0 113.611 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -99.84 -8.78 23.69 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -156.52 -22.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -97.04 12.37 32.81 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.85 0.86 . . . . 10.0 113.215 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -71.72 11.1 0.55 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.689 2.795 . . . . 10.0 115.003 -172.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.85 -18.13 4.46 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.276 1.954 . . . . 10.0 116.276 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.03 49.92 0.65 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.065 1.346 . . . . 10.0 114.544 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -156.43 167.76 29.45 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.039 1.866 . . . . 10.0 116.039 169.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.2 p -157.32 146.78 20.23 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.304 2.242 . . . . 10.0 110.474 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.51 173.6 14.95 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 116.679 2.103 . . . . 10.0 116.679 -168.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -106.89 -172.15 2.03 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.155 2.182 . . . . 10.0 114.515 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -67.09 158.54 30.87 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.542 1.137 . . . . 10.0 112.493 169.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 65.16 6.67 3.66 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.034 1.734 . . . . 10.0 112.612 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.58 32.45 31.61 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.827 1.679 . . . . 10.0 112.69 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -84.08 -69.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.198 0.999 . . . . 10.0 113.191 -168.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.5 110.4 17.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.984 0.913 . . . . 10.0 110.497 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 tp -104.06 127.65 51.63 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.455 1.102 . . . . 10.0 109.148 170.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -108.69 116.13 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.311 1.044 . . . . 10.0 108.472 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.9 mt -103.93 141.26 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 125.559 1.544 . . . . 10.0 109.314 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -107.16 160.66 15.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.018 0.527 . . . . 10.0 111.007 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.95 47.63 19.56 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.449 1.5 . . . . 10.0 113.981 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.91 142.12 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.43 1.492 . . . . 10.0 110.866 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.71 -175.67 5.55 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.411 1.885 . . . . 10.0 111.403 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -58.14 -30.15 66.11 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 10.0 114.228 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -85.03 -5.54 59.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.23 1.812 . . . . 10.0 114.304 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -94.15 -6.02 45.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.86 1.264 . . . . 10.0 113.693 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -49.89 138.22 15.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.514 1.926 . . . . 10.0 112.104 169.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.65 162.71 32.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.475 1.607 . . . . 10.0 113.16 -168.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 30.1 tt0 -123.34 102.6 8.0 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.077 2.551 . . . . 10.0 106.475 169.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -85.95 82.04 8.28 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.657 1.583 . . . . 10.0 110.676 -170.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.23 121.97 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 1.7 p -110.37 138.53 46.63 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 126.625 1.97 . . . . 10.0 111.903 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.6 mt -138.15 141.47 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 125.582 1.553 . . . . 10.0 107.777 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.87 147.51 42.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.83 0.852 . . . . 10.0 110.704 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -145.37 140.26 27.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.968 1.307 . . . . 10.0 109.146 -173.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -142.57 -170.59 3.24 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.896 0.878 . . . . 10.0 110.269 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -66.38 -23.02 66.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.689 0.996 . . . . 10.0 113.689 178.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.99 -25.88 17.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.136 1.374 . . . . 10.0 113.61 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 174.67 -158.87 27.28 Favored Glycine 0 CA--C 1.54 1.626 0 CA-C-N 119.403 1.001 . . . . 10.0 114.448 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -148.05 148.3 30.52 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.361 1.865 . . . . 10.0 110.3 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -150.9 167.36 27.77 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.016 1.326 . . . . 10.0 112.954 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -157.21 157.28 34.05 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 114.555 1.316 . . . . 10.0 114.555 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.53 179.77 8.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 128.045 2.538 . . . . 10.0 111.785 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 m -146.98 135.98 22.39 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.003 0.921 . . . . 10.0 113.207 -171.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.85 161.51 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 126.087 1.755 . . . . 10.0 109.196 168.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -121.76 159.86 25.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.546 1.539 . . . . 10.0 111.759 169.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -145.03 104.28 3.96 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.843 1.657 . . . . 10.0 109.002 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -99.85 115.95 30.8 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.91 1.284 . . . . 10.0 112.142 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.62 135.32 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.234 1.014 . . . . 10.0 111.293 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -130.68 166.98 19.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.461 1.904 . . . . 10.0 112.423 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 35.81 4.68 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.75 -1.219 . . . . 10.0 113.334 -172.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.251 1.147 0 C-N-CA 126.985 2.114 . . . . 10.0 113.448 -176.523 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 110.007 -1.237 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -157.97 -176.28 5.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.337 1.455 . . . . 10.0 110.691 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.04 1.6 39.25 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.042 1.737 . . . . 10.0 114.621 -173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mm -77.0 -35.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.203 1.001 . . . . 10.0 112.928 -170.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -152.12 25.41 0.63 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.683 1.364 . . . . 10.0 114.683 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.8 t -144.57 101.92 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.763 2.025 . . . . 10.0 108.17 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.7 mt -83.17 75.64 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.878 1.323 . . . . 10.0 109.933 -172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -156.2 -44.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 128.63 2.772 . . . . 10.0 108.419 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -76.56 139.69 40.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.48 1.512 . . . . 10.0 111.911 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.18 109.73 3.97 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.601 1.961 . . . . 10.0 108.378 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -59.79 163.02 14.31 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.451 2.768 . . . . 10.0 114.061 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -68.06 151.97 77.0 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.682 2.255 . . . . 10.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -138.48 49.83 1.89 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.711 1.604 . . . . 10.0 109.739 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.32 135.18 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.649 -0.657 . . . . 10.0 111.392 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -137.05 155.64 49.4 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.768 1.227 . . . . 10.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.47 105.16 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.872 -1.158 . . . . 10.0 107.872 174.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -55.01 -34.87 63.82 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.833 1.253 . . . . 10.0 112.389 -176.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -127.33 145.08 50.92 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.509 2.324 . . . . 10.0 107.532 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 m -85.45 -36.22 20.75 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.263 -0.898 . . . . 10.0 111.843 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.1 m -144.93 134.4 23.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.203 1.801 . . . . 10.0 108.645 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.91 150.87 42.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.999 1.72 . . . . 10.0 110.302 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -130.49 147.09 52.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.195 1.398 . . . . 10.0 110.069 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.09 19.79 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.876 0.846 . . . . 10.0 113.072 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -86.55 123.92 32.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.515 1.126 . . . . 10.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 162.38 22.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.981 . . . . 10.0 113.021 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' H ' ' HA ' ' A' ' 78' ' ' ASP . 10.0 t-20 65.35 11.36 7.25 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.362 1.865 . . . . 10.0 114.795 169.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.3 mt -98.51 -1.47 41.12 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.114 1.366 . . . . 10.0 112.626 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 64.85 27.66 12.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.341 1.457 . . . . 10.0 111.358 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -70.69 175.61 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.359 1.076 . . . . 10.0 111.911 -174.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -128.67 149.84 50.5 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.942 1.297 . . . . 10.0 112.446 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.52 130.51 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.505 1.522 . . . . 10.0 111.423 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -104.87 146.63 28.74 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.758 0.708 . . . . 10.0 111.055 172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -156.25 174.35 15.52 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 127.711 2.404 . . . . 10.0 109.999 171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 140.0 9.75 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 -172.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.77 64.51 0.63 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.625 2.37 . . . . 10.0 108.093 171.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.94 131.08 41.07 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.121 -0.987 . . . . 10.0 112.402 -168.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.45 158.92 21.84 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.007 0.908 . . . . 10.0 112.7 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -157.23 153.38 27.47 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.664 1.986 . . . . 10.0 110.051 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.54 176.2 39.23 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 126.121 1.82 . . . . 10.0 111.789 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.412 ' HA ' ' C ' ' A' ' 41' ' ' PRO . 23.7 t80 -154.69 137.52 10.23 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 118.79 1.295 . . . . 10.0 113.447 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 49.4 Cg_exo -56.1 160.44 19.71 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.468 0.846 . . . . 10.0 111.998 -10.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -33.05 126.21 0.4 Allowed Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.084 2.154 . . . . 10.0 115.649 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.05 164.36 11.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 10.0 113.086 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 m -115.44 151.57 34.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.883 2.473 . . . . 10.0 108.356 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -158.73 153.81 25.27 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.623 -1.298 . . . . 10.0 112.257 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.8 p -156.07 167.35 30.69 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.564 1.946 . . . . 10.0 111.058 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -157.36 162.05 39.07 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.028 1.121 . . . . 10.0 114.028 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -129.22 156.05 44.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.675 1.19 . . . . 10.0 113.81 -170.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -101.77 70.53 1.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.928 2.091 . . . . 10.0 110.306 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.74 -16.34 0.28 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.82 2.048 . . . . 10.0 114.867 -169.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.0 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.545 1.94 0 N-CA-C 115.646 1.018 . . . . 10.0 115.646 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.35 147.52 34.66 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 118.634 1.217 . . . . 10.0 111.215 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 141.87 17.68 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.857 2.372 . . . . 10.0 114.005 -170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.99 30.26 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 128.017 2.527 . . . . 10.0 109.022 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -31.34 114.1 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.06 2.144 . . . . 10.0 115.504 175.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -6.15 24.39 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.522 1.129 . . . . 10.0 113.967 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.97 -4.41 36.31 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.512 1.525 . . . . 10.0 114.445 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -158.42 -30.78 0.07 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -93.16 103.84 16.08 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.665 0.745 . . . . 10.0 112.19 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.64 8.9 2.85 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.383 1.873 . . . . 10.0 114.048 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -28.81 -45.8 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.844 2.858 . . . . 10.0 117.328 -170.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -154.78 49.17 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.217 1.407 . . . . 10.0 111.623 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.01 150.77 18.98 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 115.465 1.654 . . . . 10.0 115.465 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -140.37 139.9 35.43 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.761 2.024 . . . . 10.0 110.076 -174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.77 -176.01 5.09 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.734 2.014 . . . . 10.0 114.5 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.5 163.85 35.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -173.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.03 172.67 8.16 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.249 1.82 . . . . 10.0 113.046 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 50.05 33.61 7.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.164 1.785 . . . . 10.0 111.803 -170.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.36 -128.85 1.62 Allowed Glycine 0 N--CA 1.471 0.967 0 C-N-CA 126.269 1.89 . . . . 10.0 110.178 -171.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.1 t -164.58 -55.83 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.413 1.085 . . . . 10.0 112.436 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 9.72 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 129.019 2.927 . . . . 10.0 114.97 -169.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tt -86.7 120.37 27.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.884 1.326 . . . . 10.0 109.891 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.34 119.39 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 126.941 2.097 . . . . 10.0 107.299 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.8 mt -95.04 134.49 32.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 10.0 107.063 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -117.34 155.83 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.163 0.985 . . . . 10.0 110.62 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 65.85 53.65 1.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.139 1.776 . . . . 10.0 112.152 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.1 124.04 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.494 1.117 . . . . 10.0 108.672 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' H ' ' A' ' 26' ' ' ASN . 37.6 t70 -133.77 -38.74 0.89 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 116.044 1.868 . . . . 10.0 116.044 -169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 161.74 -26.22 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 128.489 2.715 . . . . 10.0 111.298 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -72.62 -7.0 48.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.756 1.222 . . . . 10.0 113.283 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.63 -11.69 59.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.776 2.03 . . . . 10.0 115.116 -172.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.85 133.35 53.21 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.217 -0.927 . . . . 10.0 111.467 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.05 153.51 10.13 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.883 -1.136 . . . . 10.0 112.654 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -112.61 99.33 7.87 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.396 -1.705 . . . . 10.0 106.396 168.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -82.82 78.05 9.48 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.812 1.645 . . . . 10.0 110.458 -169.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.4 mt -80.42 127.76 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 175.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 p -132.58 144.34 50.33 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 -172.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -135.0 141.5 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 125.667 1.587 . . . . 10.0 110.018 -169.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.81 152.85 48.85 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.465 1.506 . . . . 10.0 111.297 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -151.77 140.6 20.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.873 1.669 . . . . 10.0 108.966 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -149.92 -169.82 3.48 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 122.839 1.304 . . . . 10.0 112.07 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -14.07 62.8 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.135 1.774 . . . . 10.0 112.949 -174.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.51 -14.82 12.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.882 1.673 . . . . 10.0 114.15 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.49 -157.47 27.06 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 120.806 1.639 . . . . 10.0 116.194 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -154.01 151.18 29.06 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 126.784 2.033 . . . . 10.0 111.041 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -158.47 166.94 30.98 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.826 1.25 . . . . 10.0 112.408 -173.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -156.86 154.75 30.33 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.8 177.49 9.07 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.809 2.043 . . . . 10.0 112.139 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 m -151.88 135.93 16.54 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.133 1.773 . . . . 10.0 113.219 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -116.83 140.66 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.451 1.501 . . . . 10.0 108.379 171.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -104.08 108.87 20.43 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.943 -1.098 . . . . 10.0 109.67 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.5 tp -96.46 103.95 15.89 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.756 -1.215 . . . . 10.0 110.817 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.11 142.2 27.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.811 1.244 . . . . 10.0 110.476 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.42 111.85 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.982 1.313 . . . . 10.0 110.079 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -103.17 141.03 36.57 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.412 0.685 . . . . 10.0 112.422 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.45 45.38 1.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.58 1.152 . . . . 10.0 113.07 -170.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--O 1.254 1.29 0 C-N-CA 127.244 2.217 . . . . 10.0 112.214 175.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.61 -0.596 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -157.21 47.46 0.41 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.158 1.383 . . . . 10.0 111.727 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.77 13.48 0.64 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.904 -1.122 . . . . 10.0 113.956 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.64 -30.38 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.082 1.753 . . . . 10.0 111.894 -172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -148.56 24.28 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.192 0.996 . . . . 10.0 112.442 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -153.75 153.68 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 129.026 2.931 . . . . 10.0 106.767 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.3 mt -89.78 112.6 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.746 0.819 . . . . 10.0 109.523 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -142.92 -41.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 124.516 1.126 . . . . 10.0 111.565 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m120 59.25 166.35 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 129.92 3.288 . . . . 10.0 114.483 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -143.68 126.57 8.8 Favored Pre-proline 0 C--O 1.244 0.796 0 C-N-CA 127.912 2.485 . . . . 10.0 108.689 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -56.03 160.32 10.55 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.312 2.674 . . . . 10.0 113.173 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -63.54 152.51 79.89 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 122.696 2.264 . . . . 10.0 113.094 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -134.92 48.97 2.25 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.518 1.127 . . . . 10.0 110.844 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 37' ' ' ALA . 8.4 p -70.53 130.89 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 122.044 0.926 . . . . 10.0 110.826 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -130.82 169.5 15.65 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.22 1.808 . . . . 10.0 110.501 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.14 124.1 35.97 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.155 0.982 . . . . 10.0 110.129 169.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -73.43 -28.89 62.22 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.345 0.658 . . . . 10.0 111.517 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -161.87 124.19 2.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.976 2.111 . . . . 10.0 107.865 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -71.72 -18.79 62.13 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 115.518 1.673 . . . . 10.0 115.518 -169.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 m -137.48 128.21 27.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.861 1.264 . . . . 10.0 109.742 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.2 mmm -115.83 164.87 13.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.407 1.883 . . . . 10.0 110.117 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -156.62 159.95 38.94 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.514 1.126 . . . . 10.0 110.966 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.41 154.62 12.32 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.354 1.062 . . . . 10.0 111.433 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -99.23 117.88 34.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.108 0.963 . . . . 10.0 109.111 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.48 167.71 18.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.843 1.257 . . . . 10.0 112.214 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 74.43 -9.56 1.28 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.643 2.377 . . . . 10.0 113.62 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.03 -6.29 22.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.809 2.044 . . . . 10.0 113.053 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m 55.18 48.34 19.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.984 1.713 . . . . 10.0 113.751 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.01 159.06 26.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.202 1.001 . . . . 10.0 113.571 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.1 p -107.85 138.89 43.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.025 1.73 . . . . 10.0 109.08 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -149.59 134.2 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.257 1.023 . . . . 10.0 111.465 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 m -103.54 141.56 35.8 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.406 0.682 . . . . 10.0 111.312 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -156.05 165.79 35.38 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.781 1.632 . . . . 10.0 110.352 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.53 150.39 6.05 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 119.094 2.998 . . . . 10.0 119.094 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.8 m -114.56 101.91 9.55 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.568 -1.651 . . . . 10.0 107.673 168.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.85 78.57 3.44 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.39 1.476 . . . . 10.0 114.983 -170.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . . . -72.46 147.33 46.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.105 1.362 . . . . 10.0 113.666 172.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -163.37 165.2 24.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.509 1.923 . . . . 10.0 109.979 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.17 174.42 34.82 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.739 1.638 . . . . 10.0 112.403 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -137.27 110.43 9.03 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.293 1.037 . . . . 10.0 110.914 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.89 159.38 76.33 Favored 'Cis proline' 0 C--O 1.246 0.875 0 CA-C-N 119.89 0.996 . . . . 10.0 111.128 -4.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.18 132.71 0.95 Allowed Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.072 1.349 . . . . 10.0 112.708 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.46 156.15 28.55 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.072 1.848 . . . . 10.0 113.645 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.3 m -91.51 113.7 26.03 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 114.516 -1.22 . . . . 10.0 107.761 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -137.0 155.72 49.35 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 -169.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -154.14 167.47 29.75 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.568 1.547 . . . . 10.0 110.753 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -154.88 160.45 41.2 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -126.75 155.05 43.38 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 10.0 113.904 -169.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -97.34 70.51 2.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.507 1.923 . . . . 10.0 109.597 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 66.76 -12.74 0.2 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.974 2.11 . . . . 10.0 115.171 -171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.56 -31.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 120.351 -1.468 . . . . 10.0 116.036 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.09 149.15 36.39 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 118.352 1.076 . . . . 10.0 112.081 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -78.53 135.44 13.12 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.544 1.496 . . . . 10.0 115.002 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 mt -101.99 39.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 127.333 2.253 . . . . 10.0 107.85 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -50.0 112.55 0.68 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.125 1.77 . . . . 10.0 113.31 -173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -66.09 -0.39 2.41 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.184 1.393 . . . . 10.0 113.738 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -97.97 -12.06 22.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.976 1.71 . . . . 10.0 114.185 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -161.77 -26.59 0.05 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.35 143.39 26.86 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.398 -0.813 . . . . 10.0 112.328 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -152.08 7.17 0.45 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.585 1.954 . . . . 10.0 113.357 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -18.27 -52.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 130.507 3.523 . . . . 10.0 117.716 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -156.49 48.92 0.48 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.885 2.074 . . . . 10.0 110.382 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.2 160.07 29.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.313 1.968 . . . . 10.0 116.313 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -145.4 141.32 28.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.854 2.462 . . . . 10.0 109.918 -173.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -147.78 174.09 12.16 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 117.177 2.288 . . . . 10.0 117.177 -169.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -89.68 -178.5 5.55 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.618 1.967 . . . . 10.0 114.021 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.16 -12.74 57.99 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.221 1.563 . . . . 10.0 115.221 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -81.74 -14.15 56.87 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.703 -1.248 . . . . 10.0 111.789 170.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.65 15.21 81.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.047 1.784 . . . . 10.0 113.351 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -99.91 -61.82 1.32 Allowed 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 124.97 1.308 . . . . 10.0 113.904 -169.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 88.29 3.05 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.471 1.032 . . . . 10.0 112.139 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 tp -85.84 102.45 13.71 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.739 1.215 . . . . 10.0 109.119 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 mt -88.03 117.7 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.743 -1.577 . . . . 10.0 106.743 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.14 142.75 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 126.117 1.767 . . . . 10.0 107.851 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -117.99 158.28 25.23 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.494 1.118 . . . . 10.0 111.755 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.285 64.4 pttt 47.7 47.24 18.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.884 2.474 . . . . 10.0 114.241 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.94 143.07 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.228 1.411 . . . . 10.0 110.907 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.67 178.63 10.11 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.816 1.246 . . . . 10.0 111.5 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -47.26 -33.17 5.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.161 2.584 . . . . 10.0 115.044 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 p -83.81 -6.41 59.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.78 1.632 . . . . 10.0 113.906 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.18 -3.12 58.7 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -47.03 137.04 7.93 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 10.0 111.256 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.51 160.69 34.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.074 1.139 . . . . 10.0 114.074 -169.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -126.48 102.76 7.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 106.314 -1.736 . . . . 10.0 106.314 170.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -84.34 88.69 7.27 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 125.133 1.373 . . . . 10.0 111.501 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.56 124.2 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.687 -1.968 . . . . 10.0 105.687 169.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.0 p -126.65 133.2 51.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.887 1.275 . . . . 10.0 111.483 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.77 141.02 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 125.984 1.714 . . . . 10.0 110.722 -168.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.17 149.39 51.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.551 1.54 . . . . 10.0 111.287 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -150.86 143.84 24.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.609 1.564 . . . . 10.0 110.68 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -150.57 -175.61 5.17 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.346 1.059 . . . . 10.0 109.824 169.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -23.45 67.32 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.148 1.907 . . . . 10.0 116.148 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.46 -19.68 23.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.025 1.33 . . . . 10.0 114.08 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.79 -164.24 35.64 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 119.881 1.219 . . . . 10.0 115.869 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -150.89 148.64 28.69 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.584 1.954 . . . . 10.0 110.431 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -155.26 162.55 40.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.351 1.061 . . . . 10.0 112.475 -171.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.58 154.12 26.07 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.219 0.822 . . . . 10.0 113.219 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.2 176.91 9.18 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 126.403 1.881 . . . . 10.0 112.196 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -144.57 141.83 29.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.007 1.323 . . . . 10.0 112.557 -175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -138.54 147.44 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 125.266 1.426 . . . . 10.0 110.131 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -107.91 140.18 41.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.404 1.082 . . . . 10.0 111.577 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.9 tp -117.88 108.44 15.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 10.0 111.425 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -96.54 85.69 3.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.525 1.93 . . . . 10.0 112.019 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.73 128.56 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.507 0.723 . . . . 10.0 110.443 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -120.69 153.56 36.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.795 1.638 . . . . 10.0 114.093 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.7 41.39 1.39 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.168 1.787 . . . . 10.0 113.386 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.553 2.341 . . . . 10.0 112.959 -171.017 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 111.335 -0.706 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.4 161.76 14.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.797 2.039 . . . . 10.0 112.165 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.87 -45.54 10.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.808 0.843 . . . . 10.0 112.532 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.1 mm -147.94 -54.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 128.39 2.676 . . . . 10.0 110.072 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -156.74 27.95 0.32 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.289 2.236 . . . . 10.0 112.11 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 t -153.14 147.01 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.361 2.665 . . . . 10.0 108.068 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mm -83.52 95.19 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 123.734 0.814 . . . . 10.0 109.879 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.75 52.47 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.861 1.664 . . . . 10.0 108.718 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -80.37 138.45 36.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.193 0.997 . . . . 10.0 110.551 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t -127.42 116.82 21.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.3 1.84 . . . . 10.0 110.047 -172.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -53.19 160.73 4.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.248 3.299 . . . . 10.0 113.743 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.39 145.52 95.77 Favored 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 121.722 1.615 . . . . 10.0 111.114 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.0 m -125.86 49.41 1.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.662 1.185 . . . . 10.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.36 134.72 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.461 1.124 . . . . 10.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -131.01 174.33 10.12 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.922 1.689 . . . . 10.0 109.004 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.15 121.45 37.94 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.677 0.791 . . . . 10.0 109.38 170.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -71.71 -28.9 64.01 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -123.33 177.76 5.45 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.904 2.082 . . . . 10.0 109.252 168.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 p -107.08 -59.62 1.79 Allowed 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.87 -0.519 . . . . 10.0 111.748 174.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -140.43 117.24 11.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.601 1.96 . . . . 10.0 110.109 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 90.7 mmm -94.42 164.0 13.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.938 1.695 . . . . 10.0 111.354 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.46 156.49 48.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.926 1.69 . . . . 10.0 110.212 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.37 151.43 19.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.562 0.696 . . . . 10.0 112.457 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 m -101.43 111.63 23.91 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.093 1.357 . . . . 10.0 109.812 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 154.32 42.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 67.9 21.53 8.95 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.289 1.836 . . . . 10.0 113.818 169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 mt -96.43 -2.95 44.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.837 -1.165 . . . . 10.0 114.103 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 66.94 20.58 10.49 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.478 1.511 . . . . 10.0 113.401 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -89.5 177.24 6.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.593 1.957 . . . . 10.0 113.17 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -114.38 133.9 55.37 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.841 1.256 . . . . 10.0 111.494 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.35 129.75 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.382 1.473 . . . . 10.0 110.605 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 m -106.02 143.78 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.258 1.023 . . . . 10.0 111.253 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.37 167.32 30.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.538 2.335 . . . . 10.0 109.47 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.71 152.77 16.2 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 119.103 3.001 . . . . 10.0 119.103 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.56 99.73 7.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.64 1.576 . . . . 10.0 108.316 168.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.25 79.89 0.99 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.887 1.675 . . . . 10.0 113.728 -171.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.73 145.47 29.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.851 1.26 . . . . 10.0 112.426 174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -164.95 162.44 20.62 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.306 1.842 . . . . 10.0 109.248 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.79 173.07 37.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.924 1.726 . . . . 10.0 112.207 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.0 106.94 8.81 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 123.808 0.843 . . . . 10.0 110.849 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -68.71 159.44 86.31 Favored 'Cis proline' 0 CA--C 1.542 0.905 0 CA-C-N 120.001 1.036 . . . . 10.0 112.597 0.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.37 135.17 3.32 Favored Pre-proline 0 N--CA 1.482 1.148 0 C-N-CA 125.516 1.527 . . . . 10.0 112.25 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.02 162.79 11.7 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.344 2.029 . . . . 10.0 113.409 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -99.78 131.33 45.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 169.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -145.92 152.51 39.56 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.251 0.932 . . . . 10.0 113.059 -174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.5 p -151.65 167.46 28.06 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.228 1.811 . . . . 10.0 110.684 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -155.13 162.14 41.07 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -124.01 156.16 36.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.24 1.016 . . . . 10.0 113.634 -169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -100.8 65.7 1.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.203 2.201 . . . . 10.0 110.333 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.62 -2.95 1.21 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 127.239 2.216 . . . . 10.0 114.466 -170.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.43 -36.44 0.13 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.443 1.021 . . . . 10.0 114.819 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.62 151.32 47.79 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 119.202 1.501 . . . . 10.0 112.278 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.91 144.83 17.34 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.544 2.163 . . . . 10.0 113.42 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.93 42.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 128.438 2.695 . . . . 10.0 108.719 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.1 126.71 30.46 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.196 -1.565 . . . . 10.0 111.843 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.63 1.81 2.21 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.661 2.784 . . . . 10.0 116.011 -168.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -104.0 -4.59 23.13 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.435 1.494 . . . . 10.0 113.106 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -151.84 -14.24 0.19 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -106.6 17.08 23.76 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.226 -1.546 . . . . 10.0 114.064 -175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.01 11.51 0.54 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.926 2.49 . . . . 10.0 115.021 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -52.77 -24.07 8.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.547 1.939 . . . . 10.0 115.293 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -154.15 49.95 0.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.714 1.206 . . . . 10.0 113.926 170.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CD1' HD11 ' A' ' 72' ' ' LEU . 1.8 p90 -154.15 171.16 19.6 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 116.923 2.194 . . . . 10.0 116.923 175.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.0 p -152.08 161.01 43.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.4 1.88 . . . . 10.0 109.693 169.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.57 171.17 16.57 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 117.492 2.404 . . . . 10.0 117.492 -169.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -91.09 -172.65 3.39 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.946 1.698 . . . . 10.0 114.167 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -79.9 -17.37 53.26 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.184 1.55 . . . . 10.0 115.184 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.76 -16.02 40.22 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.105 1.362 . . . . 10.0 112.066 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.58 80.21 Favored Glycine 0 CA--C 1.546 1.97 0 C-N-CA 125.643 1.592 . . . . 10.0 113.377 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.2 p -80.88 -46.86 14.59 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 114.567 1.321 . . . . 10.0 114.567 -169.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.26 123.5 31.6 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.683 0.793 . . . . 10.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 63' ' ' TYR . 19.2 tp -120.72 117.05 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.243 1.017 . . . . 10.0 109.462 178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 mt -100.43 114.89 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -99.71 117.98 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 125.108 1.363 . . . . 10.0 108.828 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -94.85 159.17 15.17 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.554 0.741 . . . . 10.0 112.598 174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.29 64.2 pttt 45.87 61.77 2.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.899 2.079 . . . . 10.0 113.634 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.9 t -76.97 143.18 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 114.629 -1.169 . . . . 10.0 111.415 -172.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -142.11 175.37 9.79 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.311 1.444 . . . . 10.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -54.02 -24.51 17.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.608 1.963 . . . . 10.0 114.71 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -79.66 -7.16 58.4 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.636 1.974 . . . . 10.0 113.931 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -87.58 -2.43 58.61 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.87 127.49 30.49 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.718 -1.239 . . . . 10.0 110.44 171.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.25 158.96 28.09 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.906 1.817 . . . . 10.0 115.906 -168.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -116.02 105.86 13.11 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.284 -1.376 . . . . 10.0 107.284 168.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -87.48 79.87 8.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.967 1.307 . . . . 10.0 111.769 -168.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.25 128.46 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.06 143.14 49.82 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.929 0.871 . . . . 10.0 112.462 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.75 138.12 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.032 1.333 . . . . 10.0 110.337 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.41 52.01 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.843 1.657 . . . . 10.0 111.507 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -149.86 142.37 24.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 10.0 109.815 -172.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -147.23 -170.01 3.45 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.121 -0.987 . . . . 10.0 110.694 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -16.05 63.16 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.805 -1.185 . . . . 10.0 113.911 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.82 -24.52 14.04 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.09 1.756 . . . . 10.0 114.265 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.26 -157.9 22.23 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 119.199 0.909 . . . . 10.0 115.299 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -153.59 149.85 28.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.192 1.397 . . . . 10.0 110.512 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -158.0 162.01 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 10.0 112.113 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -154.56 154.03 32.4 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.107 1.521 . . . . 10.0 115.107 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.86 5.08 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 126.367 1.867 . . . . 10.0 112.184 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.7 m -153.04 129.95 10.99 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.073 -1.642 . . . . 10.0 113.072 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.48 174.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.693 1.597 . . . . 10.0 108.905 169.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -143.95 153.51 42.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.482 1.113 . . . . 10.0 108.692 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -139.32 114.93 9.95 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.881 1.672 . . . . 10.0 110.333 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -91.54 149.12 21.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.425 1.09 . . . . 10.0 109.678 168.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.0 133.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.934 0.894 . . . . 10.0 109.816 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.58 158.23 36.8 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.991 1.717 . . . . 10.0 111.441 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.65 41.23 2.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.497 1.519 . . . . 10.0 112.93 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt . . . . . 0 C--O 1.26 1.609 0 C-N-CA 127.011 2.124 . . . . 10.0 111.755 -174.8 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -94.2 140.92 29.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.087 1.355 . . . . 10.0 110.437 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -152.01 176.23 11.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.456 1.502 . . . . 10.0 111.91 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 mm -118.13 -30.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.675 1.59 . . . . 10.0 112.039 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -94.91 -175.73 3.64 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.489 1.516 . . . . 10.0 111.741 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.0 65.9 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 CA-C-O 122.483 1.135 . . . . 10.0 109.065 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.1 mt -149.75 157.48 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 129.453 3.101 . . . . 10.0 107.551 -169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.7 t -102.17 -33.86 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.575 -1.328 . . . . 10.0 112.188 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -161.74 155.16 21.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.623 1.969 . . . . 10.0 111.571 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -143.75 125.13 8.13 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 127.943 2.497 . . . . 10.0 110.653 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.02 162.47 7.19 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 124.427 3.418 . . . . 10.0 113.966 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -63.81 156.07 60.06 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.288 1.992 . . . . 10.0 113.186 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -134.98 49.39 2.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.631 1.573 . . . . 10.0 111.602 -175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.16 140.29 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -136.83 166.24 24.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.832 2.453 . . . . 10.0 110.84 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.96 131.19 41.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 10.0 109.287 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -84.27 -34.11 23.86 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.144 0.977 . . . . 10.0 111.1 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -112.07 -178.16 3.35 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.458 2.303 . . . . 10.0 109.845 169.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -129.59 -45.99 1.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 m -157.72 116.44 3.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.684 1.593 . . . . 10.0 109.643 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.3 mmm -107.33 163.93 12.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.4 1.88 . . . . 10.0 111.316 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -138.15 150.24 46.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.658 1.583 . . . . 10.0 110.159 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.65 159.69 21.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.351 0.66 . . . . 10.0 112.066 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -110.12 120.81 43.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.1 0.96 . . . . 10.0 111.149 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 153.09 44.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.044 1.738 . . . . 10.0 111.981 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 71.07 1.7 3.92 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.908 2.483 . . . . 10.0 115.572 172.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.67 -3.44 56.34 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.461 -1.399 . . . . 10.0 113.739 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m 65.14 22.32 12.25 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.358 1.463 . . . . 10.0 113.562 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -85.63 167.68 15.13 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.245 1.418 . . . . 10.0 112.217 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -114.58 152.31 32.02 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 121.064 -1.023 . . . . 10.0 110.615 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.8 t -143.53 136.52 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.653 1.181 . . . . 10.0 110.288 -174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -118.37 140.78 49.32 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.518 0.727 . . . . 10.0 110.953 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -152.12 166.66 30.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.114 1.765 . . . . 10.0 109.301 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -166.95 164.22 16.12 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 118.871 2.915 . . . . 10.0 118.871 -168.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.4 m -112.28 177.34 4.67 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.028 2.131 . . . . 10.0 106.959 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -150.8 128.84 11.81 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 120.629 -1.294 . . . . 10.0 111.4 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.67 33.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.876 1.27 . . . . 10.0 112.822 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -159.58 163.63 34.9 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.582 1.953 . . . . 10.0 109.499 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.93 167.9 23.04 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 126.138 1.827 . . . . 10.0 111.863 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -136.69 111.76 9.7 Favored Pre-proline 0 CA--C 1.554 1.101 0 CA-C-N 118.84 1.32 . . . . 10.0 112.453 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.43 159.75 84.81 Favored 'Cis proline' 0 C--N 1.351 0.683 0 CA-C-N 119.324 0.794 . . . . 10.0 112.035 0.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -41.54 135.22 2.02 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.723 1.609 . . . . 10.0 113.563 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -84.34 163.49 12.96 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.506 2.137 . . . . 10.0 114.355 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -104.14 151.63 23.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.146 2.178 . . . . 10.0 107.822 169.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.4 ptm -162.04 156.61 22.37 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.297 1.408 . . . . 10.0 114.682 -169.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.2 p -154.47 172.21 18.13 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.462 2.305 . . . . 10.0 109.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER -153.62 173.3 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 120.742 -1.224 . . . . 10.0 112.347 177.468 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.9 p -130.2 144.5 51.4 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -171.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -96.71 48.98 1.08 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.529 2.332 . . . . 10.0 110.322 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 84' ' ' GLU . 20.3 t0 54.68 25.71 6.72 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.691 1.997 . . . . 10.0 115.051 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.52 -16.13 0.07 OUTLIER Glycine 0 CA--C 1.537 1.443 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.48 154.93 34.04 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 119.54 1.67 . . . . 10.0 111.72 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.74 140.45 13.02 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.038 1.825 . . . . 10.0 114.384 -169.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -96.11 49.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 129.58 3.152 . . . . 10.0 108.068 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.5 135.15 36.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.618 1.199 . . . . 10.0 112.374 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.78 -4.84 10.07 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.929 1.455 . . . . 10.0 114.929 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -96.11 -4.45 42.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.624 1.169 . . . . 10.0 112.999 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.82 -9.4 0.81 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.004 1.322 . . . . 10.0 113.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.74 88.11 2.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.032 1.333 . . . . 10.0 109.54 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -143.58 2.31 1.23 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 125.424 1.49 . . . . 10.0 113.46 -169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.73 -29.5 45.34 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 120.68 -1.263 . . . . 10.0 114.256 -172.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -159.89 47.02 0.26 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.882 1.273 . . . . 10.0 112.108 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.61 158.53 1.06 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.244 1.572 . . . . 10.0 115.244 -169.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -177.33 158.64 1.47 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 129.354 3.061 . . . . 10.0 111.069 169.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.5 173.97 10.34 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.761 1.764 . . . . 10.0 115.761 170.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.57 155.84 25.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.27 1.428 . . . . 10.0 113.395 177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -82.75 -179.95 7.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.244 1.417 . . . . 10.0 113.56 -174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.299 3.9 p30 51.84 28.98 5.47 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 123.305 1.526 . . . . 10.0 111.914 -169.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.35 -159.97 32.56 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 129.94 3.638 . . . . 10.0 110.14 -168.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.0 46.25 0.11 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.791 1.236 . . . . 10.0 112.089 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.7 mt-10 -75.32 87.88 2.54 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.262 1.025 . . . . 10.0 112.658 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.5 tp -80.55 114.52 19.51 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.867 1.267 . . . . 10.0 110.519 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -99.88 131.98 46.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -117.29 135.19 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 126.086 1.754 . . . . 10.0 107.65 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 156.54 18.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 121.334 0.588 . . . . 10.0 112.16 173.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.32 16.9 pttp 62.89 -40.42 0.17 Allowed 'General case' 0 N--CA 1.488 1.431 1 C-N-CA 132.23 4.212 . . . . 10.0 116.941 -178.72 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t 68.28 131.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 130.42 3.488 . . . . 10.0 113.8 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -140.39 167.65 21.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.029 1.332 . . . . 10.0 111.297 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.85 -16.93 19.67 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -73.03 -8.81 57.39 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.99 1.316 . . . . 10.0 113.937 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -89.63 -3.19 58.38 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.34 1.056 . . . . 10.0 113.288 171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -63.45 119.45 9.78 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.229 0.922 . . . . 10.0 108.662 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.24 20.39 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' H ' ' HB2' ' A' ' 50' ' ' ASP . 9.4 tt0 -109.92 94.27 4.93 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 105.454 -2.054 . . . . 10.0 105.454 169.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -78.51 80.5 4.89 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 126.425 1.89 . . . . 10.0 111.924 -169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.0 mt -77.25 125.58 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 123.6 0.76 . . . . 10.0 108.965 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 31.2 p -122.05 131.45 53.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.717 1.607 . . . . 10.0 112.704 -176.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 66.9 mt -123.15 136.95 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.779 1.632 . . . . 10.0 109.297 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.99 156.35 32.32 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.372 1.082 . . . . 10.0 111.229 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -153.07 142.39 21.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.204 1.401 . . . . 10.0 110.033 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -150.51 -168.44 3.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.527 1.131 . . . . 10.0 111.764 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -14.88 61.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.985 1.314 . . . . 10.0 112.924 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.6 12.7 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 125.827 1.651 . . . . 10.0 113.514 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.8 19.21 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 115.973 1.149 . . . . 10.0 115.973 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -142.99 158.36 43.68 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.212 1.805 . . . . 10.0 109.375 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -157.15 164.51 37.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.503 1.121 . . . . 10.0 112.562 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.07 157.99 42.39 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.627 1.343 . . . . 10.0 114.627 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.98 9.85 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.04 2.136 . . . . 10.0 111.627 169.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.7 m -147.21 131.29 17.28 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.355 0.98 . . . . 10.0 113.333 -173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.12 174.5 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 126.391 1.876 . . . . 10.0 109.359 168.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -143.99 151.17 39.38 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.594 -1.316 . . . . 10.0 110.074 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 tp -138.9 111.17 7.42 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.479 1.512 . . . . 10.0 110.174 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -87.41 143.61 27.15 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.136 0.975 . . . . 10.0 109.739 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.18 130.17 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.337 1.055 . . . . 10.0 111.628 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -120.13 -176.66 3.25 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.981 2.112 . . . . 10.0 110.989 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.71 31.28 0.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.334 2.654 . . . . 10.0 112.222 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.031 -0.427 . . . . 10.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -157.12 161.99 39.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.948 2.099 . . . . 10.0 111.514 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.18 -9.01 24.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.891 1.276 . . . . 10.0 113.297 -175.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.6 mt -92.16 -39.34 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 120.815 -1.178 . . . . 10.0 113.567 -169.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -159.23 31.83 0.2 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 122.554 1.169 . . . . 10.0 114.125 -168.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.3 151.58 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 10.0 108.939 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm -76.39 80.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 122.743 1.258 . . . . 10.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 t -147.19 -39.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.933 2.493 . . . . 10.0 109.915 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -97.2 129.89 44.5 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.514 1.926 . . . . 10.0 111.68 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.12 119.46 5.2 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 126.876 2.07 . . . . 10.0 107.522 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.32 159.58 12.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.895 2.397 . . . . 10.0 114.267 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.84 112.27 3.05 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.003 2.469 . . . . 10.0 108.893 176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -93.09 49.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.849 1.26 . . . . 10.0 110.506 -173.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.83 125.81 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.574 -0.704 . . . . 10.0 111.609 -174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -125.76 172.68 9.63 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.652 1.981 . . . . 10.0 112.104 171.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 118.79 31.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.385 171.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 17' ' ' ARG . 19.2 ttp85 -81.42 -6.07 58.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.061 0.944 . . . . 10.0 113.527 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.34 153.24 23.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.597 2.759 . . . . 10.0 109.056 171.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 p -91.95 -46.88 7.59 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.35 1.06 . . . . 10.0 112.709 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -146.97 112.23 5.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.336 1.855 . . . . 10.0 108.961 -173.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 97.6 mmm -97.31 165.01 12.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.017 1.727 . . . . 10.0 111.111 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -159.67 157.42 29.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.397 1.479 . . . . 10.0 111.659 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 162.29 13.19 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.771 1.228 . . . . 10.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -92.85 123.33 36.04 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.412 1.085 . . . . 10.0 110.853 -175.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 148.71 36.76 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 68.19 6.7 5.42 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.744 2.018 . . . . 10.0 115.226 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.2 mt -93.89 8.6 40.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.31 1.444 . . . . 10.0 112.643 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m 62.23 27.52 16.5 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.844 1.658 . . . . 10.0 112.984 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -68.54 163.82 22.67 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.201 1.4 . . . . 10.0 112.78 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.6 p -130.93 156.6 44.79 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.046 1.738 . . . . 10.0 112.039 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -152.1 131.72 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.098 0.959 . . . . 10.0 111.572 -170.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 m -105.45 135.26 47.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.578 1.151 . . . . 10.0 109.396 168.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.22 162.18 41.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.397 1.479 . . . . 10.0 109.321 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -160.33 147.09 15.77 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 117.595 2.443 . . . . 10.0 117.595 -169.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.8 t -116.21 97.42 6.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.318 1.847 . . . . 10.0 108.451 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.28 83.77 1.89 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.421 1.488 . . . . 10.0 113.842 -169.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.76 141.51 28.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.334 1.053 . . . . 10.0 111.642 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -162.07 155.62 21.02 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.723 1.609 . . . . 10.0 109.523 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.14 178.0 43.73 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 125.164 1.364 . . . . 10.0 112.535 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -141.22 125.07 10.17 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.944 0.898 . . . . 10.0 112.274 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -55.3 160.3 16.92 Favored 'Cis proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.752 0.947 . . . . 10.0 112.732 -10.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.45 128.77 6.23 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.841 1.657 . . . . 10.0 111.909 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -80.33 159.25 22.97 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.462 2.108 . . . . 10.0 113.146 -169.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -100.06 132.23 45.54 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.524 1.529 . . . . 10.0 107.435 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -150.43 152.85 34.93 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.514 -0.741 . . . . 10.0 112.988 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 p -152.44 169.22 23.12 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.05 1.74 . . . . 10.0 110.61 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -154.48 158.33 39.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 10.0 113.823 -175.546 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 p -120.95 152.27 38.72 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.734 1.214 . . . . 10.0 113.693 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -98.84 68.24 1.73 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.471 1.908 . . . . 10.0 108.972 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 68.15 -5.2 0.91 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.972 2.109 . . . . 10.0 114.816 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.24 -34.49 0.14 Allowed Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.573 -1.329 . . . . 10.0 116.037 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.84 149.46 41.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.629 1.172 . . . . 10.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.18 136.27 10.09 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.951 2.434 . . . . 10.0 113.856 -170.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.4 mt -98.84 45.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 128.238 2.615 . . . . 10.0 107.856 171.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.66 145.19 54.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.751 1.22 . . . . 10.0 113.623 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.93 -10.13 59.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.59 1.156 . . . . 10.0 113.616 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.3 -4.24 20.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -156.3 -20.41 0.1 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.539 2.051 . . . . 10.0 116.539 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -110.94 100.52 9.21 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.694 1.134 . . . . 10.0 110.571 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -147.57 11.77 1.0 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.362 1.465 . . . . 10.0 112.784 -167.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.78 -28.35 15.17 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 117.249 2.314 . . . . 10.0 117.249 -169.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -158.42 47.52 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.372 1.069 . . . . 10.0 111.03 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.49 159.21 35.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.7 p -155.92 147.72 23.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.108 2.163 . . . . 10.0 110.53 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -143.24 176.79 8.87 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.567 1.692 . . . . 10.0 115.567 -169.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -88.98 -178.6 5.75 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 -172.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -76.29 -14.01 60.13 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 120.85 -1.156 . . . . 10.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -87.25 -11.18 50.46 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.841 1.657 . . . . 10.0 112.175 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.51 10.11 70.15 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.892 1.711 . . . . 10.0 113.635 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 p -92.05 -65.97 0.96 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 10.0 112.666 -169.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 29.3 mt-10 -73.31 106.75 5.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.105 0.962 . . . . 10.0 111.583 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -111.29 121.18 44.58 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.942 2.097 . . . . 10.0 109.968 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -103.29 119.22 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.391 1.476 . . . . 10.0 107.715 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.0 mt -100.18 141.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 127.024 2.13 . . . . 10.0 108.266 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.57 157.19 41.93 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.847 0.859 . . . . 10.0 111.901 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.283 59.8 pttt 45.56 65.85 1.05 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 128.122 2.569 . . . . 10.0 114.175 -176.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 144.0 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.883 2.073 . . . . 10.0 113.301 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.15 175.29 10.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.243 1.817 . . . . 10.0 110.801 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.85 -27.73 5.51 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.6 1.96 . . . . 10.0 115.01 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 p -80.38 -6.38 57.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.383 1.473 . . . . 10.0 113.652 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -84.64 -4.63 59.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.651 1.18 . . . . 10.0 112.881 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -52.97 134.09 37.95 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.092 -1.005 . . . . 10.0 110.971 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.39 152.2 19.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 -172.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -114.72 96.98 6.0 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.447 1.899 . . . . 10.0 107.118 169.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -84.9 102.72 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.009 1.324 . . . . 10.0 111.277 -169.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.6 mt -94.15 127.64 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.125 -1.435 . . . . 10.0 107.125 169.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 8.3 p -126.16 127.46 45.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.123 1.369 . . . . 10.0 112.34 -173.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.44 134.19 66.39 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 C-N-CA 125.488 1.515 . . . . 10.0 109.557 -171.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.01 149.93 49.67 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 122.233 1.016 . . . . 10.0 111.565 173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -151.06 142.78 23.72 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.265 1.426 . . . . 10.0 110.762 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -151.58 -170.06 3.55 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.488 1.115 . . . . 10.0 110.505 170.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HD2' ' H ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -73.36 -17.83 61.24 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.14 -27.38 17.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.61 1.164 . . . . 10.0 113.862 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.15 -164.25 31.48 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 116.328 1.291 . . . . 10.0 116.328 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -163.11 130.86 3.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.872 1.269 . . . . 10.0 110.985 -172.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -151.04 176.29 11.28 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.501 1.52 . . . . 10.0 113.215 -177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.69 146.93 19.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.621 1.169 . . . . 10.0 114.128 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.46 176.91 7.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.967 1.707 . . . . 10.0 112.498 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.6 m -141.81 145.93 35.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.299 1.439 . . . . 10.0 111.886 -177.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mt -143.5 146.74 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 126.597 1.959 . . . . 10.0 109.192 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -106.43 151.88 24.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.147 0.979 . . . . 10.0 111.677 171.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 tp -136.7 109.8 7.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.269 1.428 . . . . 10.0 109.262 169.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.73 89.44 3.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.55 1.94 . . . . 10.0 112.067 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.8 t -83.19 128.87 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.644 1.178 . . . . 10.0 109.563 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -112.03 151.03 29.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 10.0 112.89 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 48.93 1.72 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.547 1.539 . . . . 10.0 111.514 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 126.478 1.911 . . . . 10.0 112.103 178.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.404 -0.679 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -152.12 144.52 24.07 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.927 2.091 . . . . 10.0 110.717 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -91.19 29.67 1.38 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.964 1.306 . . . . 10.0 111.932 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.38 147.73 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.227 1.811 . . . . 10.0 109.504 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -77.32 26.91 0.16 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.41 23.5 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 127.179 2.191 . . . . 10.0 110.298 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.7 mt -140.53 150.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.313 2.245 . . . . 10.0 108.627 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.88 127.49 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.447 0.699 . . . . 10.0 111.081 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.12 104.76 10.9 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 124.266 1.026 . . . . 10.0 109.21 169.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -80.27 125.45 81.27 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.554 1.541 . . . . 10.0 110.902 -170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -54.99 167.86 1.45 Allowed 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 124.506 3.471 . . . . 10.0 114.47 171.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -91.14 79.22 0.48 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.301 3.334 . . . . 10.0 109.731 -173.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -78.16 65.22 3.48 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.18 1.792 . . . . 10.0 112.92 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.05 144.52 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.873 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -148.4 156.72 42.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 124.748 1.219 . . . . 10.0 112.455 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.3 120.02 26.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.835 0.854 . . . . 10.0 110.193 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -68.55 -36.91 79.44 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.474 0.916 . . . . 10.0 113.474 -170.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -131.98 -8.24 3.48 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 115.793 1.775 . . . . 10.0 115.793 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m 70.86 -37.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 128.285 2.634 . . . . 10.0 115.73 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -155.6 122.63 5.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.453 1.901 . . . . 10.0 109.582 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.7 mmm -107.78 169.5 8.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.8 2.04 . . . . 10.0 110.851 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -151.96 158.26 42.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.083 1.353 . . . . 10.0 111.657 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.44 156.67 16.52 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.259 0.623 . . . . 10.0 112.66 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -97.56 118.01 33.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.641 1.177 . . . . 10.0 110.581 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.92 155.71 28.89 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.321 1.448 . . . . 10.0 113.609 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.17 2.4 4.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.586 1.955 . . . . 10.0 115.254 169.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -91.79 6.01 47.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.737 1.615 . . . . 10.0 112.586 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m 63.67 26.9 14.7 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.018 1.727 . . . . 10.0 112.072 -173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -76.05 169.96 17.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.532 1.133 . . . . 10.0 111.76 -173.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -131.65 153.71 49.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.16 1.384 . . . . 10.0 111.975 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.57 135.12 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.945 1.298 . . . . 10.0 111.142 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 m -107.43 141.39 38.9 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.33 -0.856 . . . . 10.0 109.705 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.6 pt? -157.96 166.28 33.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.99 1.716 . . . . 10.0 111.063 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.24 13.56 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 116.215 1.932 . . . . 10.0 116.215 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.34 78.82 1.16 Allowed 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 105.025 -2.213 . . . . 10.0 105.025 168.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.96 129.57 38.87 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.784 -1.198 . . . . 10.0 112.606 -169.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.19 154.1 24.86 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.922 0.867 . . . . 10.0 112.344 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -154.16 146.87 24.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.587 1.555 . . . . 10.0 110.346 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.8 176.77 41.65 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.625 1.583 . . . . 10.0 111.821 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -158.16 134.09 6.09 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 121.616 -0.932 . . . . 10.0 111.79 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.39 158.83 45.35 Favored 'Cis proline' 0 CA--C 1.547 1.147 0 CA-C-N 120.158 1.092 . . . . 10.0 112.258 -10.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -39.33 136.71 1.05 Allowed Pre-proline 0 CA--C 1.561 1.391 0 C-N-CA 126.746 2.018 . . . . 10.0 116.393 -169.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.33 163.96 4.53 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.083 2.522 . . . . 10.0 114.235 -174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 m -109.8 149.89 29.17 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.146 1.779 . . . . 10.0 108.035 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 ptm -159.28 153.28 23.38 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.026 1.121 . . . . 10.0 114.026 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.7 p -151.74 167.25 28.82 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.167 1.787 . . . . 10.0 110.529 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -155.71 166.79 32.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.483 1.113 . . . . 10.0 113.854 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -139.64 156.97 46.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.8 1.24 . . . . 10.0 112.826 -170.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 95.82 6.0 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.463 0.705 . . . . 10.0 109.587 169.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 70.27 -28.65 0.17 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.631 2.372 . . . . 10.0 115.025 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.73 -28.32 0.05 OUTLIER Glycine 0 CA--C 1.542 1.724 0 C-N-CA 125.244 1.402 . . . . 10.0 115.75 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.92 146.55 41.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 119.215 1.508 . . . . 10.0 112.104 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.97 150.35 20.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.85 2.367 . . . . 10.0 115.879 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mt -118.7 41.24 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 129.468 3.107 . . . . 10.0 107.322 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.24 96.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.55 1.94 . . . . 10.0 115.409 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.24 2.2 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.608 1.563 . . . . 10.0 112.937 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.96 -4.27 40.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.013 -1.679 . . . . 10.0 114.427 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -159.11 -28.35 0.07 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -103.92 152.12 22.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 10.0 112.967 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -152.95 9.46 0.44 Allowed 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 128.405 2.682 . . . . 10.0 113.041 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -20.12 -52.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.607 3.163 . . . . 10.0 118.302 -169.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -154.02 48.79 0.64 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.79 2.036 . . . . 10.0 109.72 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -156.63 163.42 39.35 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 115.002 1.482 . . . . 10.0 115.002 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -155.96 147.67 22.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.579 1.951 . . . . 10.0 109.703 -175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -153.0 -179.62 7.84 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 -168.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.86 160.38 33.68 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.714 1.205 . . . . 10.0 113.748 172.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -90.48 176.01 6.86 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.975 1.71 . . . . 10.0 111.394 170.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.94 30.78 20.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.795 1.238 . . . . 10.0 112.822 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.03 -116.13 0.49 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.119 2.295 . . . . 10.0 109.768 -173.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -177.72 -32.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.592 1.557 . . . . 10.0 113.134 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 16.0 mp0 -10.94 85.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 1 C-N-CA 131.723 4.009 . . . . 10.0 114.887 -174.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 tp -85.47 115.11 22.99 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.958 1.703 . . . . 10.0 108.165 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 mt -101.23 114.71 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 108.159 -1.052 . . . . 10.0 108.159 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -103.19 122.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 10.0 107.553 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -103.55 158.63 16.23 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.252 1.021 . . . . 10.0 112.078 172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt 64.23 52.77 1.87 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.181 2.192 . . . . 10.0 111.418 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.3 t -75.86 141.73 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.324 1.049 . . . . 10.0 112.156 -171.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -145.04 -179.61 6.73 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.798 1.639 . . . . 10.0 111.018 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -63.18 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.178 -1.577 . . . . 10.0 113.077 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.6 p -72.01 -9.62 58.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.9 1.68 . . . . 10.0 113.552 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -89.84 1.4 56.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.172 1.389 . . . . 10.0 113.886 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.18 130.66 48.07 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.493 -1.379 . . . . 10.0 108.582 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.39 154.91 25.77 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -111.53 95.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.175 -2.157 . . . . 10.0 105.175 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' HD11 ' A' ' 33' ' ' LEU . 49.7 m-85 -81.1 76.81 8.04 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.8 1.64 . . . . 10.0 113.511 -169.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.98 130.96 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.702 -1.222 . . . . 10.0 107.702 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 p -138.45 141.93 39.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.561 1.144 . . . . 10.0 113.562 -169.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.9 mt -131.56 141.42 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.646 1.978 . . . . 10.0 110.636 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.0 152.99 49.71 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.545 1.138 . . . . 10.0 111.951 170.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -148.73 143.4 26.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.506 1.522 . . . . 10.0 110.057 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -151.53 -165.53 2.27 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.299 -0.875 . . . . 10.0 111.218 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -14.8 60.71 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.607 1.563 . . . . 10.0 112.966 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.45 -22.78 12.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.147 2.179 . . . . 10.0 114.868 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.49 -157.64 22.4 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 119.639 1.109 . . . . 10.0 115.014 -175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -159.08 146.25 17.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.335 1.854 . . . . 10.0 109.842 -173.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -161.55 172.9 15.59 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.305 0.957 . . . . 10.0 112.285 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -153.98 156.14 36.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.934 1.294 . . . . 10.0 114.329 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.56 179.85 6.73 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 127.062 2.145 . . . . 10.0 112.739 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.7 m -147.77 124.97 11.47 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 10.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 174.69 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.392 1.477 . . . . 10.0 108.733 169.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -140.08 163.3 33.08 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.135 1.374 . . . . 10.0 110.824 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.3 tp -148.74 107.41 3.81 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.933 1.293 . . . . 10.0 110.243 174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -95.02 105.78 17.72 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.278 1.431 . . . . 10.0 110.002 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -97.52 137.82 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.404 1.482 . . . . 10.0 110.302 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -130.52 165.42 22.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.238 1.815 . . . . 10.0 110.497 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.49 30.77 6.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.729 -1.232 . . . . 10.0 113.275 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt . . . . . 0 C--O 1.25 1.112 0 C-N-CA 127.092 2.157 . . . . 10.0 114.362 -174.461 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 109.981 -1.248 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.97 35.91 0.71 Allowed 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 123.281 1.515 . . . . 10.0 115.005 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.17 56.75 3.63 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.558 2.343 . . . . 10.0 108.396 168.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -68.1 161.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.93 1.692 . . . . 10.0 109.72 -174.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -75.95 32.31 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.331 -1.481 . . . . 10.0 112.629 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.1 t -155.17 157.99 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 130.105 3.362 . . . . 10.0 106.663 -172.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.3 mt -68.57 103.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.06 -1.025 . . . . 10.0 109.114 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.1 t -141.59 -42.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 126.115 1.766 . . . . 10.0 110.275 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.2 157.43 30.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.014 0.925 . . . . 10.0 111.267 170.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.11 114.23 14.95 Favored Pre-proline 0 C--O 1.242 0.665 0 C-N-CA 125.555 1.542 . . . . 10.0 110.066 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.96 148.8 2.56 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 124.729 3.619 . . . . 10.0 113.338 171.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 159.85 33.27 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.451 2.101 . . . . 10.0 110.677 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -150.85 48.1 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.85 142.62 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 113.808 1.04 . . . . 10.0 113.808 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 177.07 6.97 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 122.91 1.338 . . . . 10.0 112.238 169.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.94 125.01 41.07 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 113.063 -1.88 . . . . 10.0 110.003 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm-85 -75.07 -28.41 60.33 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.609 0.764 . . . . 10.0 112.524 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -153.65 140.66 19.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.683 1.993 . . . . 10.0 109.046 170.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -80.92 -21.17 40.73 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -170.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.8 m -158.81 130.52 6.51 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.913 1.685 . . . . 10.0 109.191 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 89.6 mmm -112.37 160.92 17.23 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 127.264 2.226 . . . . 10.0 111.381 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -132.83 154.46 50.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.302 1.441 . . . . 10.0 110.195 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.59 154.47 24.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -97.83 125.69 42.81 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.929 1.291 . . . . 10.0 110.911 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.66 170.11 12.84 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.08 1.352 . . . . 10.0 113.098 172.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 71.09 -4.2 1.84 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.585 2.354 . . . . 10.0 115.188 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.7 mt -93.32 -10.34 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.411 1.485 . . . . 10.0 113.67 175.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m 54.3 31.8 15.03 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.962 1.705 . . . . 10.0 112.17 -172.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -76.65 175.74 9.05 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.478 1.511 . . . . 10.0 111.252 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 p -121.49 147.47 45.73 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 120.78 -1.2 . . . . 10.0 111.723 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.31 135.75 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.752 1.221 . . . . 10.0 111.312 -170.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.2 m -107.0 146.76 30.72 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.704 1.202 . . . . 10.0 111.13 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.96 171.25 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.616 1.966 . . . . 10.0 109.644 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.23 140.84 10.5 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 118.392 2.738 . . . . 10.0 118.392 -171.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.8 t -115.32 99.82 7.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.707 2.003 . . . . 10.0 106.327 168.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.02 115.57 24.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 115.349 1.611 . . . . 10.0 115.349 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.98 154.36 24.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.802 1.241 . . . . 10.0 112.922 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -145.94 162.59 37.44 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.646 1.578 . . . . 10.0 110.011 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.83 -172.07 42.48 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 126.533 2.016 . . . . 10.0 110.558 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -154.87 125.12 3.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.398 -1.06 . . . . 10.0 112.26 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.32 158.87 98.5 Favored 'Cis proline' 0 CA--C 1.542 0.89 0 CA-C-N 119.354 0.805 . . . . 10.0 110.268 -0.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -13.67 94.28 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 127.483 2.313 . . . . 10.0 115.775 172.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.12 162.4 7.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 123.706 2.937 . . . . 10.0 117.228 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 m -93.78 92.45 7.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 113.988 -1.46 . . . . 10.0 108.176 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -115.62 145.08 43.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.364 0.602 . . . . 10.0 112.614 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 p -154.19 160.13 41.71 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.809 1.644 . . . . 10.0 110.185 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -160.07 157.39 28.52 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.252 1.021 . . . . 10.0 113.405 -174.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.7 p -117.3 160.79 20.55 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.284 1.216 . . . . 10.0 114.284 -170.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -107.86 74.54 0.95 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.264 2.225 . . . . 10.0 109.178 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.55 -16.03 0.17 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.277 2.231 . . . . 10.0 114.515 -170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.09 -29.57 0.08 OUTLIER Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.587 -1.321 . . . . 10.0 116.16 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -88.38 153.42 50.88 Favored Pre-proline 0 N--CA 1.483 1.187 0 CA-C-N 119.049 1.425 . . . . 10.0 111.44 173.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -83.66 150.25 12.9 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.765 2.31 . . . . 10.0 114.159 -168.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.23 36.15 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.769 2.428 . . . . 10.0 108.631 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.04 115.89 20.72 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 119.784 -1.823 . . . . 10.0 111.33 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.68 -4.8 4.61 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -169.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -50.72 -33.23 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.815 2.046 . . . . 10.0 113.958 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -155.85 -19.11 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.618 1.967 . . . . 10.0 112.967 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -89.91 98.56 11.84 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.135 -0.978 . . . . 10.0 110.186 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -138.66 3.63 2.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.758 1.223 . . . . 10.0 114.006 -170.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -30.77 -45.63 0.07 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.253 2.621 . . . . 10.0 117.759 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -159.91 47.25 0.26 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.953 1.301 . . . . 10.0 110.397 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -166.71 148.3 6.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -171.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -165.81 159.41 16.03 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 127.298 2.239 . . . . 10.0 113.089 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -176.48 4.27 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 -172.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -84.18 -173.57 4.79 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.982 2.113 . . . . 10.0 113.689 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -72.98 -19.96 61.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.99 1.316 . . . . 10.0 114.266 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -90.06 -4.37 57.41 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.376 -1.452 . . . . 10.0 112.432 174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.04 76.22 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.262 0.934 . . . . 10.0 113.64 -175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.1 p -95.54 -62.16 1.34 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -77.47 84.36 3.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.843 1.257 . . . . 10.0 112.114 -172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.79 116.94 20.25 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.238 1.015 . . . . 10.0 109.952 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 mt -98.5 126.24 51.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.6 mt -111.74 128.08 68.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.135 1.374 . . . . 10.0 108.351 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -104.15 157.94 16.78 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.39 1.091 . . . . 10.0 111.263 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 63.6 52.94 2.15 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.394 1.878 . . . . 10.0 111.988 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.77 136.01 26.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.026 0.531 . . . . 10.0 112.286 -171.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -151.38 -176.89 5.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.992 1.717 . . . . 10.0 111.019 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.0 -22.89 29.49 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.39 -2.069 . . . . 10.0 114.513 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 p -71.67 -12.16 61.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.726 1.21 . . . . 10.0 113.735 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -90.25 -1.22 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.144 -1.598 . . . . 10.0 114.266 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.1 134.4 56.0 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.843 -1.161 . . . . 10.0 109.991 172.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.71 162.19 29.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.075 1.509 . . . . 10.0 115.075 -169.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -128.11 119.6 25.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.784 -1.562 . . . . 10.0 106.784 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.37 123.07 45.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.152 0.581 . . . . 10.0 112.053 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.36 122.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 104.681 -2.34 . . . . 10.0 104.681 168.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 9.6 p -124.69 135.97 53.5 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.85 142.0 42.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.907 1.283 . . . . 10.0 108.855 -169.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.68 134.63 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.76 1.224 . . . . 10.0 109.52 170.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -133.39 152.24 51.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.49 1.516 . . . . 10.0 110.39 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -149.84 172.12 15.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.615 1.166 . . . . 10.0 108.422 169.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.75 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.975 1.472 . . . . 10.0 114.975 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.73 -16.75 29.66 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.42 1.488 . . . . 10.0 114.768 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.05 -164.74 36.79 Favored Glycine 0 N--CA 1.474 1.207 0 O-C-N 120.445 -1.41 . . . . 10.0 115.671 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -163.95 148.06 10.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.007 1.323 . . . . 10.0 110.705 -171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -157.82 166.31 33.03 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.774 1.23 . . . . 10.0 111.856 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -152.36 155.16 37.06 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.31 -178.67 5.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.544 1.938 . . . . 10.0 112.549 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m -149.39 142.14 24.61 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.553 -1.342 . . . . 10.0 111.216 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.73 163.31 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.536 2.335 . . . . 10.0 109.238 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -134.94 153.62 52.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.039 1.336 . . . . 10.0 110.568 170.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -133.13 112.12 11.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.958 1.303 . . . . 10.0 110.098 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -88.56 149.55 23.54 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.94 0.775 . . . . 10.0 110.433 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.81 131.3 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.694 1.198 . . . . 10.0 111.225 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -114.15 144.29 43.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.166 1.386 . . . . 10.0 112.952 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.82 55.76 2.48 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.787 1.235 . . . . 10.0 112.037 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.39 2.276 . . . . 10.0 112.755 178.124 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.992 -0.338 . . . . 10.0 112.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -158.83 161.97 36.95 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.972 1.709 . . . . 10.0 111.144 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.75 147.42 35.36 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 122.715 0.406 . . . . 10.0 109.989 170.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.1 mm -114.27 -76.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.793 -1.192 . . . . 10.0 111.356 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -164.58 25.74 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 127.66 2.384 . . . . 10.0 111.709 171.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -156.67 159.01 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 130.636 3.574 . . . . 10.0 106.002 -169.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.35 103.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.914 0.886 . . . . 10.0 110.524 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.3 t -149.05 99.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 103.909 -2.626 . . . . 10.0 103.909 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.41 157.15 34.57 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -147.86 131.72 8.45 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.283 1.833 . . . . 10.0 110.01 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.65 163.04 5.74 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 C-N-CA 123.731 2.954 . . . . 10.0 114.996 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -93.38 70.73 0.43 Allowed 'Trans proline' 0 CA--C 1.544 1.002 1 C-N-CA 125.818 4.346 . . . . 10.0 109.156 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -78.02 63.63 3.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.221 1.409 . . . . 10.0 112.68 -168.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 137.08 25.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-O 122.241 1.019 . . . . 10.0 111.88 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -133.08 177.18 7.86 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.803 2.041 . . . . 10.0 109.399 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.34 37.53 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.287 0.635 . . . . 10.0 110.229 172.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -75.27 -28.59 59.86 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 112.259 0.466 . . . . 10.0 112.259 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -148.39 139.39 23.14 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.339 2.656 . . . . 10.0 108.019 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.8 p -87.25 -27.51 22.9 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -140.96 123.85 16.26 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.449 1.499 . . . . 10.0 108.812 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mmm -107.78 163.5 13.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 126.908 2.083 . . . . 10.0 109.573 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -152.66 158.14 41.97 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.837 1.255 . . . . 10.0 111.691 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.46 17.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.081 1.352 . . . . 10.0 111.491 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -106.54 117.53 34.29 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.614 0.766 . . . . 10.0 111.638 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.74 162.45 25.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.384 1.474 . . . . 10.0 111.929 173.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 70.12 -11.52 0.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.41 2.284 . . . . 10.0 114.112 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -101.09 -3.14 29.8 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.129 1.771 . . . . 10.0 113.665 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m 57.48 40.92 26.77 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.587 1.555 . . . . 10.0 113.272 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.79 156.24 27.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.252 1.025 . . . . 10.0 113.692 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -109.37 126.74 53.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.486 1.114 . . . . 10.0 109.019 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.49 138.76 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.897 0.879 . . . . 10.0 111.867 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 m -104.83 141.11 37.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.903 0.881 . . . . 10.0 110.647 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -148.88 165.03 32.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.611 1.965 . . . . 10.0 110.563 172.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -164.4 145.35 8.16 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 118.123 2.638 . . . . 10.0 118.123 -169.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 m -104.75 101.4 11.02 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 105.863 -1.903 . . . . 10.0 105.863 167.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.47 83.42 0.58 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.57 1.148 . . . . 10.0 112.314 -169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.71 147.02 25.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.886 1.674 . . . . 10.0 111.829 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.95 153.87 24.95 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.29 1.836 . . . . 10.0 109.28 172.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -179.55 43.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.924 1.25 . . . . 10.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -156.5 131.26 5.18 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-O 118.762 -0.637 . . . . 10.0 111.827 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -62.43 157.99 61.24 Favored 'Cis proline' 0 C--N 1.354 0.839 0 CA-C-N 119.63 0.904 . . . . 10.0 112.835 -8.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -26.85 107.08 0.2 Allowed Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 128.949 2.899 . . . . 10.0 114.785 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -61.51 155.03 55.28 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.361 2.041 . . . . 10.0 116.036 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.3 m -98.8 136.59 38.61 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 113.533 -1.667 . . . . 10.0 108.216 168.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ptm -159.86 155.1 25.12 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 120.014 1.279 . . . . 10.0 113.732 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.4 p -151.08 173.52 14.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.21 1.404 . . . . 10.0 111.374 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.87 174.85 14.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.143 1.377 . . . . 10.0 112.827 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 48.6 p -124.8 150.85 45.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.503 1.297 . . . . 10.0 114.503 -169.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -107.34 52.63 0.71 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.946 2.098 . . . . 10.0 109.537 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 73.47 -19.02 0.35 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.905 2.482 . . . . 10.0 114.777 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.38 17.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 116.901 1.52 . . . . 10.0 116.901 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -159.87 155.01 21.55 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.186 1.794 . . . . 10.0 110.182 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -82.61 133.58 7.15 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.486 2.124 . . . . 10.0 114.878 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -88.77 65.94 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 127.85 2.46 . . . . 10.0 107.638 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.8 62.21 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.803 2.041 . . . . 10.0 112.319 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -40.76 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.259 2.318 . . . . 10.0 117.259 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -82.05 -16.96 48.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.341 1.456 . . . . 10.0 113.601 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.41 -27.76 2.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.779 1.631 . . . . 10.0 113.317 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -84.29 161.29 20.51 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 118.982 0.81 . . . . 10.0 112.272 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -165.51 3.89 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.673 1.731 . . . . 10.0 115.673 -172.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.86 -28.02 68.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -162.72 47.84 0.15 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.884 1.273 . . . . 10.0 111.445 171.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.82 161.59 9.13 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -171.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 m -166.72 160.81 15.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 129.325 3.05 . . . . 10.0 110.278 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -142.41 176.95 8.61 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.715 1.746 . . . . 10.0 115.715 -169.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -89.03 -179.47 5.93 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.541 1.936 . . . . 10.0 114.598 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -83.44 -12.28 56.57 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.669 1.359 . . . . 10.0 114.669 -176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -86.39 -14.08 44.47 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.566 1.146 . . . . 10.0 112.897 172.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.8 83.77 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.575 1.559 . . . . 10.0 112.959 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.0 p -103.61 -48.02 4.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 41.5 mt-10 -88.09 108.25 19.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.411 0.685 . . . . 10.0 110.187 -173.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.42 127.48 43.41 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.734 1.613 . . . . 10.0 110.355 174.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.53 123.93 61.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.971 1.308 . . . . 10.0 107.77 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.6 mt -109.61 122.78 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.933 1.693 . . . . 10.0 107.912 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -93.38 161.79 14.25 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.778 0.831 . . . . 10.0 111.381 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.263 22.1 ptmt 43.24 48.08 5.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.225 2.21 . . . . 10.0 114.363 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -53.6 140.37 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.093 1.357 . . . . 10.0 112.679 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.21 -175.83 5.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.273 1.429 . . . . 10.0 110.103 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.52 -11.46 43.85 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 119.657 -1.902 . . . . 10.0 114.371 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 p -70.95 -9.46 57.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.677 1.191 . . . . 10.0 113.413 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -97.06 -6.36 35.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.53 1.532 . . . . 10.0 113.935 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.89 123.77 12.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.968 0.804 . . . . 10.0 110.05 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.63 157.46 33.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.01 121.3 36.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.368 1.467 . . . . 10.0 108.181 169.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.26 135.8 50.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.375 1.07 . . . . 10.0 112.247 -169.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.29 116.62 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 105.794 -1.928 . . . . 10.0 105.794 169.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.58 134.33 53.23 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.129 1.371 . . . . 10.0 111.053 -172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.23 137.47 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.795 1.238 . . . . 10.0 108.696 -172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.14 148.25 52.11 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.262 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -151.26 144.62 24.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.034 1.334 . . . . 10.0 110.447 -172.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -155.2 -169.37 3.14 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.408 0.683 . . . . 10.0 111.5 169.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.02 63.88 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.14 -26.7 20.04 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.012 1.325 . . . . 10.0 114.064 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.9 -158.72 22.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 120.197 1.362 . . . . 10.0 115.606 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.71 147.47 23.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.227 1.811 . . . . 10.0 109.513 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.02 175.37 13.08 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.806 -1.184 . . . . 10.0 113.009 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.06 153.13 15.9 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.914 1.686 . . . . 10.0 114.623 -175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.12 179.84 7.76 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 126.346 1.859 . . . . 10.0 113.853 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -139.22 142.27 37.86 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.356 1.463 . . . . 10.0 112.019 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.86 160.97 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.507 1.923 . . . . 10.0 109.694 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -132.98 150.0 52.19 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.327 1.451 . . . . 10.0 111.237 169.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.0 tp -128.42 112.37 14.32 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.752 1.621 . . . . 10.0 109.543 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -99.21 107.65 20.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.436 1.095 . . . . 10.0 111.976 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.23 125.05 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.433 0.693 . . . . 10.0 109.91 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -107.55 148.5 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.132 1.373 . . . . 10.0 112.801 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.16 50.89 1.93 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.142 1.377 . . . . 10.0 112.476 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.257 1.467 0 C-N-CA 127.902 2.481 . . . . 10.0 113.67 179.988 . . . . . . . . 0 0 . 1 stop_ save_