data_2ee3_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 2ee3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.792 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.927 0.394 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 72' ' ' THR . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 73' ' ' TYR . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' N ' HG22 ' A' ' 72' ' ' THR . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.991 0.424 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.76 0.233 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CB ' ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 43' ' ' VAL . 3.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 33' ' ' ARG . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.246 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 93' ' ' VAL . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.931 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' CD1' ' A' ' 64' ' ' LEU . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.458 HG11 ' CE1' ' A' ' 16' ' ' PHE . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.755 0.231 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' HG11 ' A' ' 35' ' ' VAL . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' CE1' HD21 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 43' ' ' VAL . 88.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.515 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 80' ' ' LEU . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.79 0.246 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ASP . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' SER . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.408 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 72' ' ' THR . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.414 ' N ' HG21 ' A' ' 71' ' ' THR . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 76' ' ' ARG . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.95 0.405 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 24' ' ' ALA . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' N ' HG21 ' A' ' 72' ' ' THR . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.943 0.402 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.475 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.779 0.241 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' HG23 ' A' ' 26' ' ' VAL . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 16' ' ' PHE . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 44' ' ' SER . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 43' ' ' VAL . 34.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 75' ' ' VAL . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 64' ' ' LEU . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.957 0.408 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.789 0.245 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' HG11 ' A' ' 93' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.418 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 33' ' ' ARG . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.498 HG11 ' CE1' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.792 0.247 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' ARG . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' N ' HG21 ' A' ' 35' ' ' VAL . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 90.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.41 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 80' ' ' LEU . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 94' ' ' THR . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG21 ' A' ' 93' ' ' VAL . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.793 0.247 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' CG1' ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.467 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.462 HG21 ' CE1' ' A' ' 73' ' ' TYR . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 71' ' ' THR . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.526 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.511 ' HE3' ' CG1' ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.76 0.233 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CE1' ' HG3' ' A' ' 29' ' ' GLU . 5.6 p-80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 26' ' ' VAL . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 67' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.414 HG21 ' CE1' ' A' ' 73' ' ' TYR . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CE1' HG21 ' A' ' 71' ' ' THR . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.964 0.411 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.787 0.245 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.498 ' CZ3' HG22 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' HG11 ' A' ' 35' ' ' VAL . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.497 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.7 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.389 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' THR . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.457 ' N ' HG22 ' A' ' 71' ' ' THR . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.497 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.498 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.95 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' CG2' HD21 ' A' ' 14' ' ' LEU . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 36' ' ' ARG . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' N ' HG11 ' A' ' 35' ' ' VAL . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.414 ' CG2' ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' CG2' ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 73' ' ' TYR . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 71' ' ' THR . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.541 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.759 0.233 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.475 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 90.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.923 0.392 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.475 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' ' CG2' ' A' ' 78' ' ' THR . 6.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.981 0.42 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.795 0.248 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 35.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.409 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 73' ' ' TYR . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 71' ' ' THR . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.956 0.408 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.487 ' CE ' ' CG1' ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.762 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' ASP . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' SER . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.557 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.781 0.242 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.96 0.41 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.728 0.22 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.959 0.409 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 67' ' ' LEU . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.416 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.413 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.813 0.256 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 44' ' ' SER . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 43' ' ' VAL . 7.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' CA ' ' OE2' ' A' ' 54' ' ' GLU . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.857 0.274 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLU . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 72' ' ' THR . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.45 ' N ' HG23 ' A' ' 71' ' ' THR . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.95 0.405 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -131.36 155.46 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 p -99.32 126.58 45.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 137.23 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -175.01 118.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -66.64 144.39 56.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 126.6 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.0 145.17 56.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 143.93 92.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.15 56.09 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -79.91 134.98 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -46.9 172.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 44.92 35.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.86 94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.63 -141.86 4.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 50' ' ' SER . 2.0 t-80 -60.62 136.11 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' N ' ' CD2' ' A' ' 49' ' ' HIS . 91.7 p -139.11 152.34 47.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 72' ' ' THR . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 73' ' ' TYR . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' N ' HG22 ' A' ' 72' ' ' THR . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.13 62.66 5.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.46 54.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.67 -165.56 32.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 31.4 p -162.24 155.01 19.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -116.53 166.54 11.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -96.99 146.78 31.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 136.39 32.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -42.96 144.44 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 t -67.39 121.19 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 p -111.62 130.88 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.07 -158.19 9.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.28 3.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -159.08 177.73 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.0 t -136.94 148.4 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -117.61 143.5 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -123.68 102.4 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 60.13 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -139.64 115.08 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -135.48 137.15 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 40.71 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 8' ' ' LEU . 4.4 pp -127.37 165.72 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.27 148.63 45.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.95 66.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CB ' ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t -57.89 162.52 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.4 t -58.99 -50.98 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -80.81 42.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.93 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.35 -126.52 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -48.6 119.28 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 43' ' ' VAL . 3.3 t -132.82 157.52 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' SER . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -17.58 37.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.16 -85.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.03 -56.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.37 -178.48 11.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 60.2 p -159.19 156.07 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t -116.18 176.36 5.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.19 144.78 28.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -177.96 2.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -122.71 142.66 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.96 10.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -169.87 127.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -58.72 -52.28 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.83 144.68 49.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 101.93 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.9 m -75.7 88.84 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 t 52.93 41.36 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -131.86 94.0 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.91 -51.42 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 -139.79 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -104.39 94.19 5.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.64 42.42 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.82 98.22 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -172.14 143.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.43 145.26 79.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.81 65.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.41 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 93' ' ' VAL . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t -78.75 144.35 35.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -48.54 -49.14 37.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -44.19 -46.37 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 79.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.72 -50.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -102.38 111.39 23.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -125.33 163.8 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG23 ' CD1' ' A' ' 64' ' ' LEU . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.31 19.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.21 -70.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.97 120.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.64 161.99 11.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 86.5 p -173.92 149.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.827 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -111.68 172.35 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.458 HG11 ' CE1' ' A' ' 16' ' ' PHE . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.3 144.13 61.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 97.91 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.491 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -39.63 -60.09 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.81 172.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -76.15 141.7 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 t -123.91 172.89 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.11 148.92 19.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -3.61 12.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -39.73 -43.38 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.3 t -75.21 84.37 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 t -172.97 124.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -161.86 154.02 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.58 120.68 1.06 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -53.57 -20.7 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 44.13 49.21 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.1 166.46 14.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -130.0 78.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.19 146.88 2.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 154.65 67.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -43.61 2.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' HG11 ' A' ' 35' ' ' VAL . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' CE1' HD21 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 43' ' ' VAL . 88.7 p -69.15 -177.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.0 p -89.34 -41.65 12.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' GLY . 78.5 mt-10 -85.38 36.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.77 90.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.15 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -75.81 127.43 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.38 169.49 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.515 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 80' ' ' LEU . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.59 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 163.25 98.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.31 -51.0 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.38 -134.83 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.2 p -171.94 171.73 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -142.34 128.83 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 149.63 64.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 152.73 69.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 p -76.23 143.19 72.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.746 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -172.77 152.73 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m -128.52 117.93 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.91 -152.25 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 149.0 65.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.6 t -154.53 154.86 33.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.5 m -92.79 -59.48 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -134.42 118.72 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -111.64 84.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.801 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.22 106.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -127.73 149.44 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -109.52 113.83 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 96.31 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -39.01 148.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.63 13.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.64 8.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ASP . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' SER . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p -59.45 176.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -75.29 -67.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -48.09 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.0 94.58 1.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.77 -44.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -112.27 113.3 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.2 p -134.1 165.43 25.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.408 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 72' ' ' THR . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.414 ' N ' HG21 ' A' ' 71' ' ' THR . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 76' ' ' ARG . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.43 26.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.74 -91.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.73 110.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.53 -175.12 15.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.494 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 77.7 p -173.86 146.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 t -95.78 -178.05 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.86 144.4 64.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.86 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -98.8 149.69 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.8 -25.53 28.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' PRO . 42.0 m -35.73 144.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -104.0 128.5 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.15 -168.06 37.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 93.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -50.64 155.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.3 m -64.33 160.89 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -126.29 42.32 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -135.62 133.47 38.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -48.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -84.69 49.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.829 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -45.08 132.4 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 98.41 50.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.4 pt? -36.76 149.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.98 144.74 32.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.64 67.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m -62.3 176.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -67.44 -52.6 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 11.7 pt-20 -84.27 44.16 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 38.17 41.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.453 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.07 -106.65 1.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.0 140.38 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.9 p -150.87 163.45 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 24' ' ' ALA . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' N ' HG21 ' A' ' 72' ' ' THR . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.32 -79.65 0.75 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.4 124.5 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.15 158.59 9.04 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.8 p -174.26 174.86 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -161.79 166.0 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.475 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.68 144.51 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -36.42 10.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 58.5 m 49.47 55.02 16.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 54.3 Cg_endo -69.79 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PRO . 74.6 m 35.06 37.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 104' ' ' GLY . 82.0 p -89.15 -48.76 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -33.24 96.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.74 -30.09 22.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.6 p -115.76 176.53 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -59.21 -52.62 64.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.435 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -107.21 139.38 41.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -102.72 154.39 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 107.58 3.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -40.43 115.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.68 91.68 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 81.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.12 115.11 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 145.62 83.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.59 30.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' HG23 ' A' ' 26' ' ' VAL . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 16' ' ' PHE . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 44' ' ' SER . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 43' ' ' VAL . 34.3 t -75.17 158.2 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 p -53.0 137.44 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 52.41 39.1 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.28 166.67 23.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.97 -129.46 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -75.82 100.99 4.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -106.53 146.17 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 75' ' ' VAL . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 64' ' ' LEU . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.19 70.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.91 -140.11 35.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 20.0 t -172.42 159.5 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -114.37 163.89 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.1 145.35 52.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.16 39.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.0 p -159.85 121.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.683 0.754 . . . . 0.0 110.807 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.03 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 t -86.8 123.75 32.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 m -108.69 176.69 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.36 161.77 13.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.14 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.5 t -59.49 160.1 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 p -39.27 121.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -139.31 159.35 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -134.36 161.79 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.65 104.63 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 79.4 p -84.5 87.17 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 19.7 m 35.57 53.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.8 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.67 172.72 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.62 143.99 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.129 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.9 11.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.89 8.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' HG11 ' A' ' 93' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -59.89 179.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 t -87.06 -28.89 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -97.77 26.85 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.25 77.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.2 124.48 43.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p -143.59 157.77 44.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.418 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 86' ' ' SER . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 33' ' ' ARG . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.07 34.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.74 -89.05 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.91 59.26 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.78 153.02 24.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 80' ' ' LEU . 83.2 p -174.55 163.36 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.97 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.498 HG11 ' CE1' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.6 65.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.12 69.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.1 m -88.9 152.85 49.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.688 0.756 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.09 37.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.9 p -81.5 47.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -105.52 163.59 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.81 83.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.76 -42.0 3.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' PRO . 3.2 m 35.38 48.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -71.82 157.19 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 51.3 41.69 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 63.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.98 176.88 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t 49.25 39.49 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.77 156.75 53.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.45 96.53 6.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.72 121.42 0.87 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 125.77 12.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.55 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' ARG . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' N ' HG21 ' A' ' 35' ' ' VAL . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p -73.86 164.77 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLU . 33.4 t -54.78 163.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.2 pt-20 37.73 35.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.01 179.34 11.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.71 -133.56 9.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.75 126.08 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 90.7 p -152.93 148.35 27.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.41 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 80' ' ' LEU . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -7.09 20.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 -52.05 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.73 -47.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -176.28 47.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.561 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 83.9 p -170.77 142.0 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m -105.18 143.05 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 94' ' ' THR . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.422 ' N ' HG21 ' A' ' 93' ' ' VAL . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.87 83.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.12 6.91 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 6.2 m 52.58 54.83 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.9 Cg_endo -69.75 97.21 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 12.7 t -34.52 140.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 m -90.42 136.34 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.2 -176.01 25.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -3.06 11.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.0 p -71.72 88.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -155.45 158.03 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -71.05 87.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -131.53 80.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 47.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -71.32 140.02 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -88.25 -57.33 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 122.97 0.64 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.38 127.32 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.58 141.07 11.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.32 69.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' CG1' ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.467 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -91.29 87.15 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t 61.6 50.52 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 38.24 43.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.91 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.64 -140.4 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 49' ' ' HIS . 2.5 t-160 -59.9 121.61 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p -133.46 151.24 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.462 HG21 ' CE1' ' A' ' 73' ' ' TYR . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 71' ' ' THR . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' CB ' ' A' ' 86' ' ' SER . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.526 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.83 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.45 -106.96 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.59 65.74 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.56 168.12 35.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.402 ' CB ' HD12 ' A' ' 80' ' ' LEU . 21.9 p -169.77 138.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -97.03 170.44 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.511 ' HE3' ' CG1' ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . -98.7 142.01 23.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.86 102.69 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -35.27 -60.28 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.817 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.6 Cg_endo -69.79 161.24 46.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.9 m -77.11 -62.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 39.65 50.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.23 -166.84 26.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.72 13.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -142.34 108.34 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 p -124.83 169.63 11.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -53.23 -56.4 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.798 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -80.32 83.51 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.4 -174.06 13.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -85.24 101.21 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 m -78.71 77.5 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 -172.43 36.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 8' ' ' LEU . 8.6 tt -174.91 136.29 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.48 136.59 24.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 145.12 55.94 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo -69.77 -29.22 24.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CE1' ' HG3' ' A' ' 29' ' ' GLU . 5.6 p-80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 26' ' ' VAL . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 67' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 25.5 p -61.24 152.09 29.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 4.2 t -35.11 -47.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.49 173.91 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.01 100.42 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.79 -73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.83 149.53 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.4 p -169.4 160.44 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.414 HG21 ' CE1' ' A' ' 73' ' ' TYR . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CE1' HG21 ' A' ' 71' ' ' THR . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -24.1 29.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.31 -121.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.46 97.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.4 -177.05 21.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 88.0 p -169.19 161.31 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t -120.27 163.55 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.54 143.48 26.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.0 p -139.2 145.13 43.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.757 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -86.7 166.86 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -88.94 163.91 15.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.94 83.48 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.83 23.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -127.13 126.0 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.7 m -92.98 156.24 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -155.01 160.75 41.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -165.34 174.05 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 151.18 12.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -100.81 159.75 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -56.3 150.68 14.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.45 63.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 129.41 44.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.94 132.96 20.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.37 66.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.268 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.75 10.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.565 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.498 ' CZ3' HG22 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' HG11 ' A' ' 35' ' ' VAL . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.497 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m -63.15 163.63 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 72' ' ' THR . 29.7 t -44.3 -46.11 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.37 134.45 41.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.79 106.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.11 -99.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -67.92 121.33 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.7 p -150.94 159.62 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' THR . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.497 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.498 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 81.78 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.39 -36.86 3.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.9 -26.34 57.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.98 -134.68 7.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 76.6 p -171.14 171.69 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -156.01 161.0 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 143.01 86.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 21' ' ' HIS . 53.5 Cg_endo -69.72 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.503 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.1 m -49.13 -58.87 7.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.77 5.14 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 101' ' ' PRO . 5.7 p -32.48 137.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 t -134.39 159.26 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.82 99.69 2.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.05 3.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 p -96.81 146.9 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.8 p -150.42 175.1 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -81.68 86.13 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -157.24 174.04 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.49 -135.59 5.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -141.51 146.05 35.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -119.96 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.77 102.82 1.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.52 137.23 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 145.98 95.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.689 . . . . 0.0 111.072 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 113.37 3.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.262 . . . . 0.0 112.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' CG2' HD21 ' A' ' 14' ' ' LEU . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 36' ' ' ARG . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' N ' HG11 ' A' ' 35' ' ' VAL . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.414 ' CG2' ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -65.44 162.86 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -62.91 -42.69 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.18 39.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.19 175.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -103.98 2.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -55.5 106.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p -137.41 144.68 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG3' ' CG2' ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 73' ' ' TYR . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 71' ' ' THR . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.38 36.03 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.56 85.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.54 53.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.34 -152.55 29.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.501 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 12.0 m -165.57 167.58 17.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -137.74 160.64 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.541 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.23 141.95 94.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.1 p -73.11 150.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.44 2.68 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -49.97 111.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -75.44 134.56 40.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.33 71.35 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.94 32.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -116.9 157.49 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 m -83.82 -51.55 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -164.01 136.86 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -171.97 151.3 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.05 111.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -100.78 93.58 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -87.36 -44.04 11.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 66.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -120.79 129.83 53.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.05 162.51 4.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.046 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.08 3.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.475 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -68.0 -74.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 42.3 t -172.08 166.63 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 45' ' ' SER . 19.2 pt-20 46.38 31.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.23 39.31 42.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.88 -106.93 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -78.9 116.52 19.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 90.0 p -134.78 151.89 51.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.475 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 -18.63 36.74 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.54 91.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.94 45.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.43 -152.71 51.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.515 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 63.0 m -158.79 153.62 24.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' ' CG2' ' A' ' 78' ' ' THR . 6.9 m -102.93 178.08 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.05 148.41 94.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -53.14 -60.19 7.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.843 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.7 109.99 2.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -64.2 -53.78 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.6 t -45.63 145.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.31 81.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' SER . 98.5 p -74.12 162.73 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . 31.0 t -35.7 -45.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -157.51 162.26 38.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -129.77 113.09 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.46 -134.56 6.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -95.1 163.37 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -117.81 80.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 102.62 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.49 39.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.01 137.28 1.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 111.064 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.86 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.4 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -58.06 -177.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 46' ' ' GLU . 54.5 p -71.3 -66.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 45' ' ' SER . 12.0 pt-20 -78.56 -29.32 46.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.28 169.42 13.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.32 0.68 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -114.06 127.18 55.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 35.3 p -151.43 173.98 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.409 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 73' ' ' TYR . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 71' ' ' THR . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.51 108.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.548 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.13 -119.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.423 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.28 -153.64 15.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 58.3 p -167.62 137.29 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t -108.0 150.76 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.528 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' CE ' ' CG1' ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.99 144.03 35.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.32 67.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.6 m -46.67 150.65 1.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.53 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.385 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 103' ' ' SER . 89.8 p -107.58 177.13 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' SER . 33.9 t -36.61 -54.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.15 83.2 1.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.95 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 m -127.4 160.73 30.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -92.97 151.49 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 46.07 42.05 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -164.63 144.48 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.28 82.01 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -122.48 -56.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 67.7 m -138.09 114.52 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.51 144.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 20.62 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.07 125.6 18.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 116.32 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -50.81 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' ASP . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' SER . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.0 t -66.96 155.38 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' SER . 60.8 p -36.13 -37.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.92 159.48 23.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.43 110.93 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.46 -92.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -91.12 116.26 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.8 p -135.74 151.57 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.557 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -29.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.72 69.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.35 43.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.77 -142.03 32.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 p -153.3 -179.57 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -146.42 172.25 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.09 141.48 62.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.76 -22.36 32.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' PRO . 33.4 m 34.91 55.0 1.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.76 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -97.16 80.28 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.0 m -136.49 120.22 17.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.01 -92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.6 16.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -61.13 169.15 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -113.58 133.89 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -142.66 146.79 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 39.85 42.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.08 49.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 61.03 43.13 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.62 172.61 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 77.55 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.47 101.12 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.62 144.74 17.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.16 64.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.2 5.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -72.6 167.67 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.5 p -43.63 -49.14 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -111.76 138.92 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.81 105.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.65 -59.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -119.02 111.24 18.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -130.96 146.54 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.01 6.92 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.23 -61.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.84 141.38 3.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' SER . . . 133.6 3.94 3.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLY . 66.2 p -32.28 117.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -98.46 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.52 142.84 43.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.06 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 p -98.52 144.51 28.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 114.14 3.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -157.79 111.54 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -102.34 86.22 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.95 74.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.36 167.83 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -67.74 -61.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -78.97 159.03 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -58.01 126.53 27.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.05 -116.24 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -61.58 105.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -71.6 97.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.61 145.38 12.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.56 170.21 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.42 141.89 26.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.64 56.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG21 ' CE1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' SER . 11.5 t -78.59 150.51 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' SER . 5.9 t -36.18 -58.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' GLY . 9.1 pt-20 -92.78 121.81 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . . . -150.08 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -112.41 136.09 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p -147.14 168.49 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 67' ' ' LEU . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.472 ' CE1' HG21 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.86 31.7 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.51 117.62 0.76 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.87 -91.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.99 -133.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -162.85 148.04 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -116.16 142.23 47.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.416 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.413 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.38 143.68 27.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -101.88 140.84 21.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.45 28.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 m -38.48 136.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.6 p -96.95 129.96 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.7 -178.34 26.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 118.57 5.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.4 t -132.99 141.65 48.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -154.71 148.07 25.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -109.19 153.61 23.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -92.54 147.08 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.85 70.13 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -92.17 39.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -154.18 174.78 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 94.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.07 130.87 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.54 144.06 37.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.071 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.14 34.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 44' ' ' SER . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 43' ' ' VAL . 7.4 t -65.97 157.85 29.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 t -54.28 -52.49 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 3.0 pp20? -90.23 44.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.03 37.47 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.63 -88.48 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -96.24 141.09 30.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p -138.73 158.97 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' CA ' ' OE2' ' A' ' 54' ' ' GLU . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.41 5.7 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.78 -138.33 8.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.29 72.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.92 176.4 41.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 21.7 p -164.96 161.98 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -143.24 136.71 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.56 144.08 76.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.69 28.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -49.81 150.31 3.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.26 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.9 m -151.79 120.95 6.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.3 p -60.19 151.57 26.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.86 114.97 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.742 2.294 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 m -66.78 162.44 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -100.1 167.5 10.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -129.96 129.53 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -99.16 -56.09 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 -123.0 5.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -134.11 147.53 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -86.44 121.15 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.89 91.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.45 84.79 7.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.78 143.81 67.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.2 4.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.31 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.42 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' GLU . 83.9 p -170.77 126.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 35.3 mt-10 36.46 42.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.03 142.81 9.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.35 -164.1 24.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -43.67 103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -128.98 153.64 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLU . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 72' ' ' THR . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' N ' HG23 ' A' ' 71' ' ' THR . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.91 27.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 -69.28 1.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.54 -48.42 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.55 -168.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.494 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 94.7 p -174.67 153.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -117.95 140.9 49.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.79 149.36 80.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -35.73 12.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -165.82 142.38 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.54 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.9 p -103.77 156.56 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 p -90.84 -53.79 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.31 -161.92 29.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 114.67 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -129.65 166.82 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.9 m -114.15 144.81 42.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.433 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.792 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 26' ' ' VAL . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 HD22 ' A' ' 14' ' ' LEU . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG22 ' A' ' 53' ' ' THR . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.758 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.758 ' HB3' HG23 ' A' ' 43' ' ' VAL . 91.7 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.927 0.394 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' HB ' ' A' ' 40' ' ' VAL . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG13 HG22 ' A' ' 40' ' ' VAL . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.991 0.424 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.76 0.233 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.785 ' N ' HD23 ' A' ' 37' ' ' LEU . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.751 ' CD1' HD22 ' A' ' 64' ' ' LEU . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.543 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.444 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.413 ' O ' HD23 ' A' ' 64' ' ' LEU . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD22 ' CD1' ' A' ' 42' ' ' TYR . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' HE ' ' A' ' 92' ' ' ARG . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.795 ' HE ' HG21 ' A' ' 88' ' ' THR . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 80' ' ' LEU . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 33' ' ' ARG . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.795 HG21 ' HE ' ' A' ' 76' ' ' ARG . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 72' ' ' THR . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.246 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' HA3' ' A' ' 91' ' ' GLY . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.666 HG22 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.931 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 88' ' ' THR . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.449 ' HB3' HG21 ' A' ' 35' ' ' VAL . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 80' ' ' LEU . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.666 ' CD1' HG22 ' A' ' 35' ' ' VAL . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 76' ' ' ARG . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.511 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.755 0.231 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 43' ' ' VAL . 88.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' HG22 ' A' ' 90' ' ' THR . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 76' ' ' ARG . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.79 0.246 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' HD21 ' A' ' 89' ' ' LEU . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD1' ' A' ' 81' ' ' TYR . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.838 ' HB3' HG23 ' A' ' 43' ' ' VAL . 82.2 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' HG2' HG23 ' A' ' 88' ' ' THR . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 42.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.95 0.405 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 76' ' ' ARG . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 90' ' ' THR . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG23 ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.548 HH21 HD11 ' A' ' 80' ' ' LEU . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.658 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 43' ' ' VAL . 53.9 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.5 HG22 ' HB ' ' A' ' 40' ' ' VAL . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.592 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 26' ' ' VAL . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 90' ' ' THR . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HH21 ' A' ' 39' ' ' ARG . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 35' ' ' VAL . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.943 0.402 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.497 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.779 0.241 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.434 ' O ' HD21 ' A' ' 89' ' ' LEU . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 89' ' ' LEU . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 52' ' ' GLN . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 41' ' ' THR . 23.6 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 64' ' ' LEU . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' LEU . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.957 0.408 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 14' ' ' LEU . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.789 0.245 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 26' ' ' VAL . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 75' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' CE1' ' A' ' 81' ' ' TYR . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 77' ' ' VAL . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 64' ' ' LEU . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.661 ' HB3' HG23 ' A' ' 43' ' ' VAL . 60.3 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.531 ' O ' HD23 ' A' ' 64' ' ' LEU . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 63' ' ' MET . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 16' ' ' PHE . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 40' ' ' VAL . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.834 ' CE1' HG22 ' A' ' 35' ' ' VAL . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.792 0.247 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 90' ' ' THR . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.601 ' N ' HD23 ' A' ' 37' ' ' LEU . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 52' ' ' GLN . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.699 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.658 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 14' ' ' LEU . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.793 0.247 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.466 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OE2' ' A' ' 54' ' ' GLU . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 77' ' ' VAL . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 44' ' ' SER . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' OE2' HD21 ' A' ' 37' ' ' LEU . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 90' ' ' THR . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 40' ' ' VAL . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 87' ' ' SER . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' VAL . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.872 ' HE3' HG13 ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.76 0.233 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 91' ' ' GLY . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.59 HH12 HD21 ' A' ' 80' ' ' LEU . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.594 ' HB3' HG23 ' A' ' 43' ' ' VAL . 96.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.539 ' HB2' HG22 ' A' ' 41' ' ' THR . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.486 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.655 HD22 ' CD1' ' A' ' 42' ' ' TYR . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HG2' HG23 ' A' ' 88' ' ' THR . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 HD22 ' A' ' 80' ' ' LEU . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.59 HD21 HH12 ' A' ' 39' ' ' ARG . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.964 0.411 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 76' ' ' ARG . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 14' ' ' LEU . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.787 0.245 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 89' ' ' LEU . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' HG21 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.588 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 50' ' ' SER . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 43' ' ' VAL . 61.7 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.389 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 40' ' ' VAL . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 76' ' ' ARG . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HG2' HG22 ' A' ' 90' ' ' THR . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' CE3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.765 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.95 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.485 ' O ' HD11 ' A' ' 14' ' ' LEU . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.756 HG22 ' HG2' ' A' ' 76' ' ' ARG . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 26' ' ' VAL . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.656 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' HG22 ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 42' ' ' TYR . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 14' ' ' LEU . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.451 HG22 HD22 ' A' ' 80' ' ' LEU . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 HG22 ' A' ' 78' ' ' THR . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 14' ' ' LEU . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.759 0.233 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 90' ' ' THR . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 81' ' ' TYR . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG13 ' A' ' 77' ' ' VAL . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.712 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.923 0.392 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 40' ' ' VAL . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CD1' HG22 ' A' ' 35' ' ' VAL . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.409 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 78' ' ' THR . 6.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.981 0.42 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.752 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.795 0.248 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.538 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG23 ' CB ' ' A' ' 24' ' ' ALA . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.73 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.413 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.722 ' N ' HD23 ' A' ' 37' ' ' LEU . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.826 ' HB3' HG23 ' A' ' 43' ' ' VAL . 35.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 42' ' ' TYR . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' HG21 ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD2' HG22 ' A' ' 90' ' ' THR . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' HG23 ' A' ' 88' ' ' THR . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.956 0.408 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' ' 78' ' ' THR . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 76' ' ' ARG . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.587 ' HE3' HG12 ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.762 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG13 ' CA ' ' A' ' 57' ' ' GLY . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 52' ' ' GLN . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.641 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 43' ' ' VAL . 24.8 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB2' HG22 ' A' ' 41' ' ' THR . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' HA2' HD23 ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 64' ' ' LEU . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 26' ' ' VAL . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HG2' HG23 ' A' ' 88' ' ' THR . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 76' ' ' ARG . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 76' ' ' ARG . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.781 0.242 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 90' ' ' THR . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' HA2' ' A' ' 57' ' ' GLY . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 52' ' ' GLN . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 44' ' ' SER . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 43' ' ' VAL . 89.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB2' HG22 ' A' ' 41' ' ' THR . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.703 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 42' ' ' TYR . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.631 ' HG2' HG22 ' A' ' 90' ' ' THR . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 80' ' ' LEU . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.96 0.41 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 76' ' ' ARG . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.728 0.22 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HD21 ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' HD22 ' A' ' 89' ' ' LEU . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 37' ' ' LEU . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.959 0.409 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.683 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.632 ' HG ' ' HE1' ' A' ' 73' ' ' TYR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.632 ' HE1' ' HG ' ' A' ' 68' ' ' SER . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CD1' HG22 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.439 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.793 HD21 ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.813 0.256 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 75' ' ' VAL . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 41' ' ' THR . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.735 ' CE1' HD22 ' A' ' 64' ' ' LEU . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' HD23 ' A' ' 64' ' ' LEU . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.735 HD22 ' CE1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 88' ' ' THR . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.722 ' CD1' HG22 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 24' ' ' ALA . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.857 0.274 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' HD21 ' A' ' 89' ' ' LEU . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 54' ' ' GLU . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 43' ' ' VAL . 87.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 43' ' ' VAL . 88.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.726 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.508 ' HD2' HG22 ' A' ' 90' ' ' THR . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.95 0.405 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' HG2' ' A' ' 76' ' ' ARG . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 76' ' ' ARG . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -131.36 155.46 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 p -99.32 126.58 45.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 137.23 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -175.01 118.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -66.64 144.39 56.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 126.6 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.0 145.17 56.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 143.93 92.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.15 56.09 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 26' ' ' VAL . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 HD22 ' A' ' 14' ' ' LEU . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG22 ' A' ' 53' ' ' THR . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.758 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -79.91 134.98 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -46.9 172.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 44.92 35.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.86 94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.63 -141.86 4.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 50' ' ' SER . 2.0 t-80 -60.62 136.11 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.758 ' HB3' HG23 ' A' ' 43' ' ' VAL . 91.7 p -139.11 152.34 47.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' HB ' ' A' ' 40' ' ' VAL . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG13 HG22 ' A' ' 40' ' ' VAL . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.13 62.66 5.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.46 54.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.67 -165.56 32.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 31.4 p -162.24 155.01 19.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -116.53 166.54 11.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -96.99 146.78 31.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 136.39 32.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -42.96 144.44 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 t -67.39 121.19 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 p -111.62 130.88 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.07 -158.19 9.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.28 3.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -159.08 177.73 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.0 t -136.94 148.4 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -117.61 143.5 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -123.68 102.4 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 60.13 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -139.64 115.08 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -135.48 137.15 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 40.71 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 pp -127.37 165.72 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.27 148.63 45.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.95 66.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.785 ' N ' HD23 ' A' ' 37' ' ' LEU . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.751 ' CD1' HD22 ' A' ' 64' ' ' LEU . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t -57.89 162.52 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.4 t -58.99 -50.98 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -80.81 42.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.93 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.35 -126.52 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -48.6 119.28 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.543 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.3 t -132.82 157.52 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.413 ' O ' HD23 ' A' ' 64' ' ' LEU . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD22 ' CD1' ' A' ' 42' ' ' TYR . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' HE ' ' A' ' 92' ' ' ARG . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.795 ' HE ' HG21 ' A' ' 88' ' ' THR . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 80' ' ' LEU . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -17.58 37.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.16 -85.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.03 -56.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.37 -178.48 11.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 60.2 p -159.19 156.07 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t -116.18 176.36 5.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.795 HG21 ' HE ' ' A' ' 76' ' ' ARG . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 72' ' ' THR . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.19 144.78 28.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -177.96 2.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -122.71 142.66 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.96 10.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -169.87 127.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -58.72 -52.28 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.83 144.68 49.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 101.93 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.9 m -75.7 88.84 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 t 52.93 41.36 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -131.86 94.0 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.91 -51.42 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 -139.79 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -104.39 94.19 5.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.64 42.42 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.82 98.22 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.2 pp -172.14 143.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -75.43 145.26 79.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 111.105 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.81 65.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.41 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' HA3' ' A' ' 91' ' ' GLY . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.666 HG22 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t -78.75 144.35 35.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -48.54 -49.14 37.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -44.19 -46.37 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 79.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.72 -50.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -102.38 111.39 23.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -125.33 163.8 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 88' ' ' THR . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.449 ' HB3' HG21 ' A' ' 35' ' ' VAL . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 86' ' ' SER . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.666 ' CD1' HG22 ' A' ' 35' ' ' VAL . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.31 19.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.21 -70.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.97 120.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.64 161.99 11.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 86.5 p -173.92 149.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.827 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -111.68 172.35 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 76' ' ' ARG . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.511 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.3 144.13 61.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 97.91 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.503 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -39.63 -60.09 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.81 172.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -76.15 141.7 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 t -123.91 172.89 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.11 148.92 19.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -3.61 12.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -39.73 -43.38 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.3 t -75.21 84.37 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 t -172.97 124.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -161.86 154.02 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.58 120.68 1.06 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -53.57 -20.7 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 44.13 49.21 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -122.1 166.46 14.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 7' ' ' GLY . 7.7 mp -130.0 78.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.19 146.88 2.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 154.65 67.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -43.61 2.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 43' ' ' VAL . 88.7 p -69.15 -177.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.0 p -89.34 -41.65 12.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' GLY . 78.5 mt-10 -85.38 36.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.77 90.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.15 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -75.81 127.43 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.38 169.49 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' HG22 ' A' ' 90' ' ' THR . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.59 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 163.25 98.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.31 -51.0 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.38 -134.83 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.2 p -171.94 171.73 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -142.34 128.83 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 76' ' ' ARG . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 149.63 64.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 152.73 69.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 p -76.23 143.19 72.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.746 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -172.77 152.73 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m -128.52 117.93 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.91 -152.25 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 149.0 65.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.6 t -154.53 154.86 33.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.5 m -92.79 -59.48 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -134.42 118.72 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -111.64 84.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.801 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.22 106.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -127.73 149.44 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -109.52 113.83 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 96.31 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -39.01 148.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.63 13.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.64 8.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' HD21 ' A' ' 89' ' ' LEU . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD1' ' A' ' 81' ' ' TYR . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p -59.45 176.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -75.29 -67.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -48.09 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.0 94.58 1.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.77 -44.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -112.27 113.3 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.838 ' HB3' HG23 ' A' ' 43' ' ' VAL . 82.2 p -134.1 165.43 25.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' HG2' HG23 ' A' ' 88' ' ' THR . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 86' ' ' SER . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.43 26.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.74 -91.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.73 110.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.53 -175.12 15.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.5 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 77.7 p -173.86 146.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 42.4 t -95.78 -178.05 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 76' ' ' ARG . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.86 144.4 64.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.86 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -98.8 149.69 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.8 -25.53 28.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' PRO . 42.0 m -35.73 144.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -104.0 128.5 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.15 -168.06 37.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 93.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -50.64 155.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.3 m -64.33 160.89 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -126.29 42.32 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -135.62 133.47 38.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -48.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -84.69 49.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.829 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -45.08 132.4 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 98.41 50.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.4 pt? -36.76 149.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.98 144.74 32.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.64 67.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 90' ' ' THR . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG23 ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.548 HH21 HD11 ' A' ' 80' ' ' LEU . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.658 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m -62.3 176.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -67.44 -52.6 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 11.7 pt-20 -84.27 44.16 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 38.17 41.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.453 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.07 -106.65 1.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.0 140.38 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 43' ' ' VAL . 53.9 p -150.87 163.45 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.5 HG22 ' HB ' ' A' ' 40' ' ' VAL . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.592 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 26' ' ' VAL . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 90' ' ' THR . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HH21 ' A' ' 39' ' ' ARG . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 35' ' ' VAL . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.32 -79.65 0.75 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.4 124.5 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.15 158.59 9.04 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 80' ' ' LEU . 80.8 p -174.26 174.86 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -161.79 166.0 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.497 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.68 144.51 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -36.42 10.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 58.5 m 49.47 55.02 16.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 54.3 Cg_endo -69.79 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PRO . 74.6 m 35.06 37.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 104' ' ' GLY . 82.0 p -89.15 -48.76 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -33.24 96.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.74 -30.09 22.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.6 p -115.76 176.53 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -59.21 -52.62 64.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.435 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -107.21 139.38 41.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -102.72 154.39 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 107.58 3.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -40.43 115.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.68 91.68 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 81.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.12 115.11 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 145.62 83.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.59 30.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' O ' HD21 ' A' ' 89' ' ' LEU . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 89' ' ' LEU . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 52' ' ' GLN . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -75.17 158.2 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 p -53.0 137.44 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 52.41 39.1 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.28 166.67 23.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.97 -129.46 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.82 100.99 4.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -106.53 146.17 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 41' ' ' THR . 23.6 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 64' ' ' LEU . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' LEU . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.19 70.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.91 -140.11 35.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 20.0 t -172.42 159.5 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -114.37 163.89 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 14' ' ' LEU . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.1 145.35 52.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.16 39.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.0 p -159.85 121.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.683 0.754 . . . . 0.0 110.807 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.03 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 t -86.8 123.75 32.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 m -108.69 176.69 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.36 161.77 13.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.14 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.5 t -59.49 160.1 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 p -39.27 121.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -139.31 159.35 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -134.36 161.79 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.65 104.63 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 79.4 p -84.5 87.17 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 19.7 m 35.57 53.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.8 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.67 172.72 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.62 143.99 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.129 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.9 11.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.89 8.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 26' ' ' VAL . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 75' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' CE1' ' A' ' 81' ' ' TYR . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 77' ' ' VAL . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 64' ' ' LEU . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -59.89 179.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 t -87.06 -28.89 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -97.77 26.85 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.25 77.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.2 124.48 43.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.661 ' HB3' HG23 ' A' ' 43' ' ' VAL . 60.3 p -143.59 157.77 44.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.531 ' O ' HD23 ' A' ' 64' ' ' LEU . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 63' ' ' MET . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 16' ' ' PHE . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 40' ' ' VAL . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 86' ' ' SER . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.834 ' CE1' HG22 ' A' ' 35' ' ' VAL . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.07 34.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.74 -89.05 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.91 59.26 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.78 153.02 24.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 80' ' ' LEU . 83.2 p -174.55 163.36 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.97 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.6 65.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.12 69.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.1 m -88.9 152.85 49.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.688 0.756 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.09 37.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.9 p -81.5 47.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -105.52 163.59 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.81 83.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.76 -42.0 3.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' PRO . 3.2 m 35.38 48.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -71.82 157.19 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 51.3 41.69 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 63.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.98 176.88 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t 49.25 39.49 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.77 156.75 53.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.45 96.53 6.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.72 121.42 0.87 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 125.77 12.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.55 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 90' ' ' THR . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.601 ' N ' HD23 ' A' ' 37' ' ' LEU . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 52' ' ' GLN . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p -73.86 164.77 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLU . 33.4 t -54.78 163.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.2 pt-20 37.73 35.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.01 179.34 11.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.71 -133.56 9.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.75 126.08 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.7 p -152.93 148.35 27.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.699 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.658 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -7.09 20.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 -52.05 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.73 -47.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -176.28 47.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 83.9 p -170.77 142.0 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m -105.18 143.05 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 14' ' ' LEU . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.87 83.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.12 6.91 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 6.2 m 52.58 54.83 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.9 Cg_endo -69.75 97.21 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 12.7 t -34.52 140.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 m -90.42 136.34 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.2 -176.01 25.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -3.06 11.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.0 p -71.72 88.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -155.45 158.03 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -71.05 87.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -131.53 80.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 47.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -71.32 140.02 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -88.25 -57.33 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 122.97 0.64 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.38 127.32 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.58 141.07 11.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.32 69.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.466 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OE2' ' A' ' 54' ' ' GLU . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 77' ' ' VAL . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 44' ' ' SER . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.6 p -91.29 87.15 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t 61.6 50.52 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 38.24 43.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.91 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.64 -140.4 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 121.61 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p -133.46 151.24 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' OE2' HD21 ' A' ' 37' ' ' LEU . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 90' ' ' THR . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 40' ' ' VAL . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 87' ' ' SER . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.83 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.45 -106.96 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.59 65.74 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.56 168.12 35.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 p -169.77 138.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 t -97.03 170.44 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' VAL . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.872 ' HE3' HG13 ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . -98.7 142.01 23.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.86 102.69 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.498 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -35.27 -60.28 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.817 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.6 Cg_endo -69.79 161.24 46.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.9 m -77.11 -62.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 39.65 50.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.23 -166.84 26.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.72 13.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -142.34 108.34 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 p -124.83 169.63 11.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -53.23 -56.4 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.798 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -80.32 83.51 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.4 -174.06 13.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -85.24 101.21 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 m -78.71 77.5 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 -172.43 36.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.91 136.29 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.48 136.59 24.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 145.12 55.94 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo -69.77 -29.22 24.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 91' ' ' GLY . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.59 HH12 HD21 ' A' ' 80' ' ' LEU . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 25.5 p -61.24 152.09 29.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 4.2 t -35.11 -47.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.49 173.91 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.01 100.42 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.79 -73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.83 149.53 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.594 ' HB3' HG23 ' A' ' 43' ' ' VAL . 96.4 p -169.4 160.44 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.539 ' HB2' HG22 ' A' ' 41' ' ' THR . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.486 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.655 HD22 ' CD1' ' A' ' 42' ' ' TYR . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HG2' HG23 ' A' ' 88' ' ' THR . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 HD22 ' A' ' 80' ' ' LEU . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.59 HD21 HH12 ' A' ' 39' ' ' ARG . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -24.1 29.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.31 -121.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.46 97.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.4 -177.05 21.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.522 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 88.0 p -169.19 161.31 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t -120.27 163.55 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 76' ' ' ARG . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 14' ' ' LEU . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . -95.54 143.48 26.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.0 p -139.2 145.13 43.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.757 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -86.7 166.86 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -88.94 163.91 15.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.94 83.48 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.83 23.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -127.13 126.0 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.7 m -92.98 156.24 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -155.01 160.75 41.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -165.34 174.05 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 151.18 12.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -100.81 159.75 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -56.3 150.68 14.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.45 63.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -97.34 129.41 44.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.669 ' N ' HD13 ' A' ' 8' ' ' LEU . . . -108.94 132.96 20.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.37 66.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.268 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.75 10.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 89' ' ' LEU . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.599 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' HG21 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.588 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 50' ' ' SER . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m -63.15 163.63 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 72' ' ' THR . 29.7 t -44.3 -46.11 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.37 134.45 41.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.79 106.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.11 -99.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -67.92 121.33 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 43' ' ' VAL . 61.7 p -150.94 159.62 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 40' ' ' VAL . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 76' ' ' ARG . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HG2' HG22 ' A' ' 90' ' ' THR . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' CE3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.799 HD23 ' HB3' ' A' ' 86' ' ' SER . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.765 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 81.78 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.39 -36.86 3.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.9 -26.34 57.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.98 -134.68 7.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.799 ' HB3' HD23 ' A' ' 80' ' ' LEU . 76.6 p -171.14 171.69 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -156.01 161.0 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.485 ' O ' HD11 ' A' ' 14' ' ' LEU . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.756 HG22 ' HG2' ' A' ' 76' ' ' ARG . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 143.01 86.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 21' ' ' HIS . 53.5 Cg_endo -69.72 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.1 m -49.13 -58.87 7.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.77 5.14 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 101' ' ' PRO . 5.7 p -32.48 137.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 t -134.39 159.26 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.82 99.69 2.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.05 3.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 p -96.81 146.9 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.8 p -150.42 175.1 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -81.68 86.13 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -157.24 174.04 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.49 -135.59 5.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -141.51 146.05 35.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -119.96 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.77 102.82 1.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.1 mm? -92.52 137.23 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 145.98 95.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.689 . . . . 0.0 111.072 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.7 Cg_endo -69.75 113.37 3.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.262 . . . . 0.0 112.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.8 Cg_endo -69.76 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.316 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 26' ' ' VAL . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -65.44 162.86 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -62.91 -42.69 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.18 39.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.19 175.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -103.98 2.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -55.5 106.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p -137.41 144.68 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' HG22 ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 42' ' ' TYR . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 14' ' ' LEU . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.451 HG22 HD22 ' A' ' 80' ' ' LEU . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 HG22 ' A' ' 78' ' ' THR . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.38 36.03 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.56 85.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.54 53.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.34 -152.55 29.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 12.0 m -165.57 167.58 17.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -137.74 160.64 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 14' ' ' LEU . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.23 141.95 94.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.1 p -73.11 150.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.44 2.68 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -49.97 111.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -75.44 134.56 40.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.33 71.35 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.94 32.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -116.9 157.49 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 m -83.82 -51.55 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -164.01 136.86 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -171.97 151.3 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.05 111.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -100.78 93.58 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -87.36 -44.04 11.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 66.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -120.79 129.83 53.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -172.05 162.51 4.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.046 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.0 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 0.0 112.4 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.08 3.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 90' ' ' THR . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 81' ' ' TYR . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG13 ' A' ' 77' ' ' VAL . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -68.0 -74.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 42.3 t -172.08 166.63 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 45' ' ' SER . 19.2 pt-20 46.38 31.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.23 39.31 42.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.88 -106.93 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -78.9 116.52 19.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.712 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.0 p -134.78 151.89 51.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 40' ' ' VAL . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 -18.63 36.74 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.54 91.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.94 45.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.43 -152.71 51.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 63.0 m -158.79 153.62 24.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 78' ' ' THR . 6.9 m -102.93 178.08 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.752 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.05 148.41 94.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.501 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -53.14 -60.19 7.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.843 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.7 109.99 2.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -64.2 -53.78 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.6 t -45.63 145.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.31 81.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' SER . 98.5 p -74.12 162.73 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . 31.0 t -35.7 -45.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -157.51 162.26 38.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -129.77 113.09 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.46 -134.56 6.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -95.1 163.37 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -117.81 80.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 102.62 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.49 39.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.01 137.28 1.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 111.064 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.86 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.4 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.538 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG23 ' CB ' ' A' ' 24' ' ' ALA . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.73 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.413 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.722 ' N ' HD23 ' A' ' 37' ' ' LEU . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -58.06 -177.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 46' ' ' GLU . 54.5 p -71.3 -66.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 45' ' ' SER . 12.0 pt-20 -78.56 -29.32 46.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.28 169.42 13.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.32 0.68 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -114.06 127.18 55.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.826 ' HB3' HG23 ' A' ' 43' ' ' VAL . 35.3 p -151.43 173.98 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 42' ' ' TYR . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' HG21 ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD2' HG22 ' A' ' 90' ' ' THR . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' HG23 ' A' ' 88' ' ' THR . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.51 108.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.548 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.13 -119.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.423 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.28 -153.64 15.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 58.3 p -167.62 137.29 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t -108.0 150.76 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' ' 78' ' ' THR . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 76' ' ' ARG . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.587 ' HE3' HG12 ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.99 144.03 35.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.32 67.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.6 m -46.67 150.65 1.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.53 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.385 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 103' ' ' SER . 89.8 p -107.58 177.13 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' SER . 33.9 t -36.61 -54.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.15 83.2 1.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.95 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 m -127.4 160.73 30.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -92.97 151.49 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 46.07 42.05 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -164.63 144.48 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.28 82.01 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -122.48 -56.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 67.7 m -138.09 114.52 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.51 144.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 20.62 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.07 125.6 18.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.83 116.32 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.76 -50.81 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG13 ' CA ' ' A' ' 57' ' ' GLY . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 52' ' ' GLN . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.641 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.0 t -66.96 155.38 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' SER . 60.8 p -36.13 -37.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.92 159.48 23.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.43 110.93 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.46 -92.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -91.12 116.26 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 43' ' ' VAL . 24.8 p -135.74 151.57 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB2' HG22 ' A' ' 41' ' ' THR . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' HA2' HD23 ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 64' ' ' LEU . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 26' ' ' VAL . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HG2' HG23 ' A' ' 88' ' ' THR . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 86' ' ' SER . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -29.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.72 69.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.35 43.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.77 -142.03 32.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.541 ' HB3' HD23 ' A' ' 80' ' ' LEU . 28.2 p -153.3 -179.57 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -146.42 172.25 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 76' ' ' ARG . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 76' ' ' ARG . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.09 141.48 62.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.76 -22.36 32.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' PRO . 33.4 m 34.91 55.0 1.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.76 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -97.16 80.28 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.0 m -136.49 120.22 17.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.01 -92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.6 16.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -61.13 169.15 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -113.58 133.89 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -142.66 146.79 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 39.85 42.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.08 49.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 61.03 43.13 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.62 172.61 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 77.55 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.47 101.12 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.62 144.74 17.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.16 64.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.2 5.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 90' ' ' THR . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' HA2' ' A' ' 57' ' ' GLY . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 52' ' ' GLN . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 44' ' ' SER . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 43' ' ' VAL . 89.1 p -72.6 167.67 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.5 p -43.63 -49.14 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -111.76 138.92 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.81 105.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.65 -59.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -119.02 111.24 18.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -130.96 146.54 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB2' HG22 ' A' ' 41' ' ' THR . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.703 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 42' ' ' TYR . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.631 ' HG2' HG22 ' A' ' 90' ' ' THR . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 80' ' ' LEU . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.01 6.92 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.23 -61.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.84 141.38 3.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' SER . . . 133.6 3.94 3.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLY . 66.2 p -32.28 117.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 m -98.46 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 76' ' ' ARG . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.52 142.84 43.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.06 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 p -98.52 144.51 28.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 114.14 3.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -157.79 111.54 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -102.34 86.22 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.95 74.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.36 167.83 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -67.74 -61.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -78.97 159.03 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -58.01 126.53 27.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.05 -116.24 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -61.58 105.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -71.6 97.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.61 145.38 12.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.56 170.21 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.42 141.89 26.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.64 56.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HD21 ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' HD22 ' A' ' 89' ' ' LEU . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 37' ' ' LEU . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' SER . 11.5 t -78.59 150.51 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' SER . 5.9 t -36.18 -58.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' GLY . 9.1 pt-20 -92.78 121.81 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . . . -150.08 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.41 136.09 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p -147.14 168.49 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.683 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.632 ' HG ' ' HE1' ' A' ' 73' ' ' TYR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.632 ' HE1' ' HG ' ' A' ' 68' ' ' SER . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CD1' HG22 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.86 31.7 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.51 117.62 0.76 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.87 -91.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.99 -133.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -162.85 148.04 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -116.16 142.23 47.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.439 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.793 HD21 ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.38 143.68 27.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -101.88 140.84 21.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.45 28.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 m -38.48 136.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.6 p -96.95 129.96 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.7 -178.34 26.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 118.57 5.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.4 t -132.99 141.65 48.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -154.71 148.07 25.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -109.19 153.61 23.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -92.54 147.08 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.85 70.13 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -92.17 39.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -154.18 174.78 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 94.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.07 130.87 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.54 144.06 37.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.071 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.14 34.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 75' ' ' VAL . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 41' ' ' THR . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.735 ' CE1' HD22 ' A' ' 64' ' ' LEU . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -65.97 157.85 29.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 t -54.28 -52.49 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 3.0 pp20? -90.23 44.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.03 37.47 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.63 -88.48 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -96.24 141.09 30.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p -138.73 158.97 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' HD23 ' A' ' 64' ' ' LEU . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.735 HD22 ' CE1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 88' ' ' THR . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.722 ' CD1' HG22 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.41 5.7 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.78 -138.33 8.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.29 72.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.92 176.4 41.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 21.7 p -164.96 161.98 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -143.24 136.71 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 24' ' ' ALA . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.56 144.08 76.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.69 28.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -49.81 150.31 3.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.26 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.9 m -151.79 120.95 6.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.3 p -60.19 151.57 26.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.86 114.97 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.742 2.294 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 m -66.78 162.44 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -100.1 167.5 10.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -129.96 129.53 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -99.16 -56.09 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 -123.0 5.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -134.11 147.53 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -86.44 121.15 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.89 91.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.45 84.79 7.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.78 143.81 67.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.6 Cg_endo -69.76 117.2 4.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.3 Cg_endo -69.74 -47.31 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' HD21 ' A' ' 89' ' ' LEU . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 54' ' ' GLU . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 43' ' ' VAL . 87.9 p -64.42 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' GLU . 83.9 p -170.77 126.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 35.3 mt-10 36.46 42.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.03 142.81 9.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.35 -164.1 24.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -43.67 103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 43' ' ' VAL . 88.0 p -128.98 153.64 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.726 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.508 ' HD2' HG22 ' A' ' 90' ' ' THR . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.91 27.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 -69.28 1.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.54 -48.42 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.55 -168.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 94.7 p -174.67 153.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -117.95 140.9 49.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' HG2' ' A' ' 76' ' ' ARG . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 76' ' ' ARG . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.79 149.36 80.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -35.73 12.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -165.82 142.38 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.54 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.9 p -103.77 156.56 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 p -90.84 -53.79 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.31 -161.92 29.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 114.67 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -129.65 166.82 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.9 m -114.15 144.81 42.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.433 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.792 0.246 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 26' ' ' VAL . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 HD22 ' A' ' 14' ' ' LEU . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG22 ' A' ' 53' ' ' THR . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.758 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.758 ' HB3' HG23 ' A' ' 43' ' ' VAL . 91.7 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.927 0.394 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' HB ' ' A' ' 40' ' ' VAL . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG13 HG22 ' A' ' 40' ' ' VAL . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.991 0.424 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.76 0.233 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.785 ' N ' HD23 ' A' ' 37' ' ' LEU . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.751 ' CD1' HD22 ' A' ' 64' ' ' LEU . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.543 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.444 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.413 ' O ' HD23 ' A' ' 64' ' ' LEU . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD22 ' CD1' ' A' ' 42' ' ' TYR . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' HE ' ' A' ' 92' ' ' ARG . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.795 ' HE ' HG21 ' A' ' 88' ' ' THR . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 80' ' ' LEU . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 33' ' ' ARG . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.795 HG21 ' HE ' ' A' ' 76' ' ' ARG . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 72' ' ' THR . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.246 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' HA3' ' A' ' 91' ' ' GLY . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.666 HG22 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.931 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 88' ' ' THR . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.449 ' HB3' HG21 ' A' ' 35' ' ' VAL . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 80' ' ' LEU . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.666 ' CD1' HG22 ' A' ' 35' ' ' VAL . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 76' ' ' ARG . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.511 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.755 0.231 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' N ' ' CE3' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 43' ' ' VAL . 88.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' HG22 ' A' ' 90' ' ' THR . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 76' ' ' ARG . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.79 0.246 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' HD21 ' A' ' 89' ' ' LEU . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD1' ' A' ' 81' ' ' TYR . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.838 ' HB3' HG23 ' A' ' 43' ' ' VAL . 82.2 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' HG2' HG23 ' A' ' 88' ' ' THR . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 42.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.95 0.405 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 76' ' ' ARG . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 90' ' ' THR . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG23 ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.548 HH21 HD11 ' A' ' 80' ' ' LEU . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.658 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 43' ' ' VAL . 53.9 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.5 HG22 ' HB ' ' A' ' 40' ' ' VAL . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.592 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 26' ' ' VAL . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 90' ' ' THR . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HH21 ' A' ' 39' ' ' ARG . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 35' ' ' VAL . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.943 0.402 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.497 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.779 0.241 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.434 ' O ' HD21 ' A' ' 89' ' ' LEU . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 89' ' ' LEU . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 52' ' ' GLN . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.5 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 64' ' ' LEU . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' LEU . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.957 0.408 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 14' ' ' LEU . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.789 0.245 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 26' ' ' VAL . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 75' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' CE1' ' A' ' 81' ' ' TYR . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 77' ' ' VAL . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 64' ' ' LEU . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.661 ' HB3' HG23 ' A' ' 43' ' ' VAL . 60.3 p . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.531 ' O ' HD23 ' A' ' 64' ' ' LEU . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 63' ' ' MET . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 16' ' ' PHE . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 40' ' ' VAL . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.834 ' CE1' HG22 ' A' ' 35' ' ' VAL . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' N ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.792 0.247 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 90' ' ' THR . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.601 ' N ' HD23 ' A' ' 37' ' ' LEU . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 52' ' ' GLN . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.699 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.658 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 14' ' ' LEU . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.793 0.247 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.466 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OE2' ' A' ' 54' ' ' GLU . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 77' ' ' VAL . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 44' ' ' SER . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' OE2' HD21 ' A' ' 37' ' ' LEU . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 90' ' ' THR . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 40' ' ' VAL . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 87' ' ' SER . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' VAL . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.872 ' HE3' HG13 ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.76 0.233 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' A' ' 29' ' ' GLU . 5.6 p-80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 91' ' ' GLY . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.59 HH12 HD21 ' A' ' 80' ' ' LEU . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.594 ' HB3' HG23 ' A' ' 43' ' ' VAL . 96.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.539 ' HB2' HG22 ' A' ' 41' ' ' THR . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.486 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.655 HD22 ' CD1' ' A' ' 42' ' ' TYR . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HG2' HG23 ' A' ' 88' ' ' THR . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 HD22 ' A' ' 80' ' ' LEU . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.59 HD21 HH12 ' A' ' 39' ' ' ARG . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.964 0.411 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 76' ' ' ARG . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 14' ' ' LEU . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.787 0.245 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 89' ' ' LEU . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' HG21 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.588 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 50' ' ' SER . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 43' ' ' VAL . 61.7 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.389 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 40' ' ' VAL . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 76' ' ' ARG . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HG2' HG22 ' A' ' 90' ' ' THR . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' CE3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.765 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.95 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.485 ' O ' HD11 ' A' ' 14' ' ' LEU . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.756 HG22 ' HG2' ' A' ' 76' ' ' ARG . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 26' ' ' VAL . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.656 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' HG22 ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 42' ' ' TYR . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 14' ' ' LEU . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.451 HG22 HD22 ' A' ' 80' ' ' LEU . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 HG22 ' A' ' 78' ' ' THR . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 14' ' ' LEU . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.759 0.233 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 90' ' ' THR . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 81' ' ' TYR . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG13 ' A' ' 77' ' ' VAL . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.712 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.923 0.392 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 40' ' ' VAL . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CD1' HG22 ' A' ' 35' ' ' VAL . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.409 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 78' ' ' THR . 6.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.981 0.42 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.752 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.795 0.248 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.538 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG23 ' CB ' ' A' ' 24' ' ' ALA . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.73 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.413 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.722 ' N ' HD23 ' A' ' 37' ' ' LEU . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.826 ' HB3' HG23 ' A' ' 43' ' ' VAL . 35.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 42' ' ' TYR . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' HG21 ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD2' HG22 ' A' ' 90' ' ' THR . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' HG23 ' A' ' 88' ' ' THR . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.956 0.408 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' ' 78' ' ' THR . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 76' ' ' ARG . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.587 ' HE3' HG12 ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.762 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG13 ' CA ' ' A' ' 57' ' ' GLY . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 52' ' ' GLN . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.641 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 43' ' ' VAL . 24.8 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB2' HG22 ' A' ' 41' ' ' THR . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' HA2' HD23 ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 64' ' ' LEU . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 26' ' ' VAL . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HG2' HG23 ' A' ' 88' ' ' THR . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 76' ' ' ARG . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 76' ' ' ARG . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.781 0.242 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 90' ' ' THR . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' HA2' ' A' ' 57' ' ' GLY . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 52' ' ' GLN . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 44' ' ' SER . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 43' ' ' VAL . 89.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB2' HG22 ' A' ' 41' ' ' THR . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.703 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 42' ' ' TYR . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.631 ' HG2' HG22 ' A' ' 90' ' ' THR . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 80' ' ' LEU . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.96 0.41 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 76' ' ' ARG . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.728 0.22 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HD21 ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' HD22 ' A' ' 89' ' ' LEU . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 37' ' ' LEU . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.959 0.409 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.683 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.632 ' HG ' ' HE1' ' A' ' 73' ' ' TYR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.632 ' HE1' ' HG ' ' A' ' 68' ' ' SER . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CD1' HG22 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.439 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.793 HD21 ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.813 0.256 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 75' ' ' VAL . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 41' ' ' THR . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.735 ' CE1' HD22 ' A' ' 64' ' ' LEU . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' HD23 ' A' ' 64' ' ' LEU . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.735 HD22 ' CE1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 88' ' ' THR . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.722 ' CD1' HG22 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 24' ' ' ALA . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.857 0.274 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' HD21 ' A' ' 89' ' ' LEU . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 54' ' ' GLU . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 43' ' ' VAL . 87.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 43' ' ' VAL . 88.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.726 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.508 ' HD2' HG22 ' A' ' 90' ' ' THR . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.95 0.405 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' HG2' ' A' ' 76' ' ' ARG . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 76' ' ' ARG . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -131.36 155.46 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 p -99.32 126.58 45.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 137.23 9.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -175.01 118.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -66.64 144.39 56.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 126.6 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.0 145.17 56.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 143.93 92.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.15 56.09 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.2 -176.28 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.64 154.44 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD22 HG23 ' A' ' 26' ' ' VAL . 7.9 mt -99.24 158.61 15.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.3 127.73 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -111.65 121.87 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -137.01 167.15 22.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.57 29.77 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.36 146.13 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -129.86 -177.61 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -86.15 -10.67 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -131.84 11.84 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.42 169.03 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.46 128.12 3.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -87.15 124.06 32.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 HD22 ' A' ' 14' ' ' LEU . 2.3 p -116.41 119.6 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -129.07 154.75 46.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -128.46 174.94 8.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.36 16.89 12.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.03 137.47 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -71.12 156.0 92.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.0 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HD2' ' CG ' ' A' ' 81' ' ' TYR . 6.8 ptp180 -134.64 152.99 78.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.12 49.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 36' ' ' ARG . 1.8 p -128.31 160.0 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 35' ' ' VAL . 28.1 ptt180 -98.78 -39.49 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 tp -143.9 161.36 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 t -137.61 120.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -114.86 101.69 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG22 ' A' ' 53' ' ' THR . 21.9 t -85.02 137.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 p -128.77 121.57 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.6 p90 -116.47 141.51 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.758 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.9 p -143.26 143.66 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -79.91 134.98 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -46.9 172.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 44.92 35.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.86 94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.63 -141.86 4.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 50' ' ' SER . 2.0 t-80 -60.62 136.11 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.758 ' HB3' HG23 ' A' ' 43' ' ' VAL . 91.7 p -139.11 152.34 47.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.43 -169.25 14.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -165.69 119.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' HB ' ' A' ' 40' ' ' VAL . 3.0 t -113.19 155.99 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -115.63 142.15 47.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.96 153.2 35.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.0 Cg_endo -69.69 143.51 51.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -50.72 -18.82 2.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -84.39 -27.59 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -65.13 119.13 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -104.84 14.02 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.0 p -158.39 137.47 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -151.29 139.2 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.6 mtp -87.78 162.97 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 8.2 mt -132.65 160.7 35.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.6 175.54 13.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.64 11.22 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.349 0.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -99.15 -176.77 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 95' ' ' THR . 6.2 t -101.42 -179.98 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -108.83 153.1 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t 41.19 32.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -128.09 134.63 49.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -76.39 136.9 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -125.95 120.25 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -80.28 103.53 10.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.23 131.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -132.87 97.36 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG13 HG22 ' A' ' 40' ' ' VAL . 89.1 t -75.38 101.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m -90.37 114.79 26.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.5 m -98.87 98.09 9.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 80' ' ' LEU . 2.4 mm? -73.32 102.09 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 15.4 m-85 -72.92 148.49 89.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.13 62.66 5.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.46 54.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.67 -165.56 32.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 31.4 p -162.24 155.01 19.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.6 m -116.53 166.54 11.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 m -145.52 105.38 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.86 107.67 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.985 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -83.29 138.73 33.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.8 123.39 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -93.15 139.84 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -144.75 130.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -93.53 112.84 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.7 p -61.39 158.11 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -77.1 166.68 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -75.53 142.97 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -96.99 146.78 31.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 136.39 32.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.6 p -42.96 144.44 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 t -67.39 121.19 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 p -111.62 130.88 55.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.07 -158.19 9.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.28 3.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -159.08 177.73 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.0 t -136.94 148.4 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -117.61 143.5 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -123.68 102.4 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 60.13 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -139.64 115.08 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -135.48 137.15 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 40.71 1.0 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 pp -127.37 165.72 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.27 148.63 45.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 111.125 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.95 66.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -149.31 -179.3 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -95.57 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.4 mt -94.83 173.96 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.43 129.85 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 84.3 m-85 -112.13 119.48 38.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -129.28 169.74 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 40.61 44.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.72 142.48 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 m -131.99 177.12 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -81.05 -12.04 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.35 17.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.93 166.02 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.71 129.11 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -94.58 122.81 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.18 131.78 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -136.66 155.3 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -126.68 164.04 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.95 14.62 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.72 -173.73 49.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.57 155.02 77.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.51 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.313 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -144.22 154.77 57.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 146.4 60.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.11 147.63 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.5 ptt180 -88.32 -37.7 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -150.06 164.17 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.785 ' N ' HD23 ' A' ' 37' ' ' LEU . 46.9 t -139.21 125.64 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -113.96 112.13 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.4 t -99.93 151.8 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 p -144.95 133.87 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.751 ' CD1' HD22 ' A' ' 64' ' ' LEU . 15.9 p90 -126.54 144.43 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 50' ' ' SER . 11.4 p -144.4 148.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.6 t -57.89 162.52 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.4 t -58.99 -50.98 72.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -80.81 42.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.93 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.35 -126.52 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -48.6 119.28 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.543 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.3 t -132.82 157.52 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -127.49 -161.24 10.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -172.41 110.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.4 t -112.38 141.1 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -105.69 146.59 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.74 154.75 31.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.78 67.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.51 -14.23 4.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 59' ' ' ALA . 25.4 p30 -87.36 -32.21 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -62.02 112.39 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.0 p -99.29 22.67 10.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 p -169.02 136.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.74 142.06 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.413 ' O ' HD23 ' A' ' 64' ' ' LEU . 19.3 mtp -89.53 167.7 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD22 ' CD1' ' A' ' 42' ' ' TYR . 11.0 mt -145.86 147.83 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 146.43 175.75 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.6 34.47 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.361 0.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.6 mt -108.28 179.4 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.83 -179.93 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -110.91 147.92 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t 51.46 27.4 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.8 m -122.07 128.23 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.434 HG21 ' HE ' ' A' ' 92' ' ' ARG . 17.4 m -79.17 117.88 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -105.76 118.06 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -77.53 101.91 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -83.68 151.04 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.795 ' HE ' HG21 ' A' ' 88' ' ' THR . 24.1 ttt180 -143.49 105.18 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.93 96.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 m -92.04 113.52 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.3 m -93.18 111.28 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 80' ' ' LEU . 2.8 mm? -85.32 108.59 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 38.8 m-85 -76.94 147.65 77.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -17.58 37.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.16 -85.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.03 -56.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.37 -178.48 11.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 60.2 p -159.19 156.07 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 t -116.18 176.36 5.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.795 HG21 ' HE ' ' A' ' 76' ' ' ARG . 86.9 m -158.14 134.67 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.5 mt -119.7 112.65 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.2 p -92.27 139.92 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.91 132.61 2.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 72' ' ' THR . 22.9 mtp180 -97.77 138.4 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 p -133.48 113.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.6 m -79.55 108.56 13.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -61.49 148.55 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -66.48 166.81 11.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -74.21 147.76 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -94.19 144.78 28.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -177.96 2.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -122.71 142.66 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.96 10.18 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -169.87 127.92 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -58.72 -52.28 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.83 144.68 49.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 101.93 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.74 2.294 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.9 m -75.7 88.84 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 t 52.93 41.36 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -131.86 94.0 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.91 -51.42 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 -139.79 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -104.39 94.19 5.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.64 42.42 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.82 98.22 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.2 pp -172.14 143.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -75.43 145.26 79.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 111.105 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.81 65.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.41 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -154.54 -177.87 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.01 145.87 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' HA3' ' A' ' 91' ' ' GLY . 16.7 mt -93.8 161.34 14.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.52 128.43 2.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -110.07 115.91 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.0 t -124.53 156.17 37.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.99 39.52 31.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.55 123.33 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -108.19 -176.27 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -86.94 -10.29 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 18.87 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.84 160.15 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.03 128.71 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.62 116.36 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.2 127.02 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -132.48 156.45 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -130.51 169.42 15.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -90.39 14.89 11.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.42 -173.95 46.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.08 157.03 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.75 2.08 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 11.7 ptp180 -143.61 153.42 58.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.14 49.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.666 HG22 ' CD1' ' A' ' 81' ' ' TYR . 98.6 t -119.86 148.27 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -95.53 -29.22 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 38' ' ' VAL . 2.4 tt -167.67 143.33 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 ' N ' HD23 ' A' ' 37' ' ' LEU . 35.0 t -117.86 134.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -118.57 100.57 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 t -84.07 143.98 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 p -142.8 116.72 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 64' ' ' LEU . 2.5 p90 -107.57 163.9 12.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -162.92 144.04 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.3 t -78.75 144.35 35.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -48.54 -49.14 37.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -44.19 -46.37 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 79.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.72 -50.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -102.38 111.39 23.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -125.33 163.8 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -136.72 -174.14 13.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -172.14 123.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -125.4 155.86 39.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.95 131.48 56.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -131.24 158.0 76.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.1 Cg_endo -69.72 157.4 60.6 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.94 -7.4 29.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.19 0.52 34.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -82.12 122.93 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -110.77 12.15 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -167.87 138.55 2.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.53 150.37 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mtp -100.02 154.68 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -130.55 147.66 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.35 176.26 21.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 126.39 9.49 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.338 0.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.71 -175.93 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.0 t -101.19 179.99 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 p -109.53 152.82 24.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t 43.53 30.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.6 m -127.38 126.04 41.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.1 m -74.0 133.32 42.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -121.52 122.13 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.7 m -82.53 101.61 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -86.11 138.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 88' ' ' THR . 17.9 ttp180 -130.12 105.85 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.3 t -95.83 98.5 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 m -92.98 111.68 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.449 ' HB3' HG21 ' A' ' 35' ' ' VAL . 61.4 m -92.02 107.15 19.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 86' ' ' SER . 1.8 mm? -81.9 105.05 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.666 ' CD1' HG22 ' A' ' 35' ' ' VAL . 27.0 m-85 -76.5 144.27 73.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.708 0.766 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.31 19.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.21 -70.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.97 120.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.471 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.64 161.99 11.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 86.5 p -173.92 149.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.827 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -111.68 172.35 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 76' ' ' ARG . 25.1 m -142.8 120.04 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.24 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.4 p -86.25 124.42 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.511 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -140.58 120.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 23.6 mtm105 -97.94 134.57 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.45 139.78 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 m -102.3 108.67 20.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 p -55.4 157.35 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.85 165.44 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -75.69 133.84 40.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.3 144.13 61.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 97.91 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.503 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -39.63 -60.09 1.44 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.81 172.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -76.15 141.7 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 t -123.91 172.89 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.11 148.92 19.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -3.61 12.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -39.73 -43.38 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.3 t -75.21 84.37 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 t -172.97 124.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -161.86 154.02 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.58 120.68 1.06 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -53.57 -20.7 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 44.13 49.21 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -122.1 166.46 14.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 7' ' ' GLY . 7.7 mp -130.0 78.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.19 146.88 2.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 154.65 67.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -43.61 2.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -133.13 -177.6 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -108.87 143.93 37.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.94 168.58 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.95 126.89 1.96 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.1 121.12 44.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 p -131.55 170.05 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 43.78 36.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.13 141.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -125.01 -175.26 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.02 -15.62 46.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.93 23.64 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.14 163.57 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.12 134.11 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -97.81 122.29 40.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.47 126.73 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -134.62 136.71 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' N ' ' CE3' ' A' ' 28' ' ' TRP . 3.2 p90 -118.68 163.49 16.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -87.49 17.1 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.79 -169.54 54.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.17 152.05 76.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 81' ' ' TYR . 5.3 mmt180 -117.86 155.35 51.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 140.11 42.06 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 81' ' ' TYR . 71.3 t -131.85 135.06 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -99.74 -28.02 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 34.7 tp -156.36 157.03 34.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 98.4 t -128.9 143.85 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -134.47 98.47 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 96.4 t -82.43 142.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -139.01 120.13 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.7 p90 -117.43 157.85 25.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 44' ' ' SER . 7.9 p -155.2 154.27 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 43' ' ' VAL . 88.7 p -69.15 -177.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.0 p -89.34 -41.65 12.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 47' ' ' GLY . 78.5 mt-10 -85.38 36.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.77 90.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.15 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -75.81 127.43 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.38 169.49 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -153.7 169.28 32.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.44 125.01 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 8.6 t -125.32 163.87 21.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -120.08 144.49 47.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.84 152.54 40.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.718 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.75 157.96 58.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.16 -18.63 42.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -88.06 -16.0 34.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -77.81 114.47 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.5 p -110.24 24.02 13.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 p -168.63 139.94 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.34 151.4 29.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -93.06 160.23 14.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 42' ' ' TYR . 28.7 mt -135.22 146.92 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.04 176.11 20.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.93 13.43 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.332 0.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.13 -176.52 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -97.65 175.39 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 p -105.77 152.73 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.4 t 42.77 31.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 84.8 m -126.88 136.13 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.3 m -80.69 136.58 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.91 127.06 51.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 m -84.05 97.95 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.99 151.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' HG22 ' A' ' 90' ' ' THR . 19.6 mtp85 -151.32 107.65 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -88.46 87.89 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -78.22 100.78 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.3 m -91.24 111.3 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.0 mm? -85.29 126.91 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 12.9 m-30 -88.29 148.34 42.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.71 0.767 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.59 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 163.25 98.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.31 -51.0 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.38 -134.83 2.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.2 p -171.94 171.73 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -142.34 128.83 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 m -115.11 101.33 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.67 105.63 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 76' ' ' ARG . 3.9 p -87.84 130.03 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.21 128.04 3.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -97.92 122.8 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.84 138.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.0 m -99.21 115.42 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 p -63.63 150.33 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -69.42 173.29 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -82.95 132.49 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 149.63 64.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 152.73 69.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 p -76.23 143.19 72.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.746 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.744 2.296 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -172.77 152.73 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m -128.52 117.93 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.91 -152.25 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 149.0 65.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.6 t -154.53 154.86 33.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.5 m -92.79 -59.48 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -134.42 118.72 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -111.64 84.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.801 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.22 106.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -127.73 149.44 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -109.52 113.83 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 96.31 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -39.01 148.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.811 0.339 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.63 13.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.64 8.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' O ' HD21 ' A' ' 89' ' ' LEU . 20.0 mtt-85 -151.03 -175.93 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -100.47 154.37 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.34 179.33 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -154.42 126.09 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -113.58 119.76 38.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.5 t -136.95 156.15 48.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.31 29.22 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.82 130.35 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -110.52 -179.13 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.73 -14.72 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -132.79 18.99 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.15 163.36 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.16 130.21 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -95.71 113.18 24.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.13 130.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 39.5 p90 -135.18 157.36 47.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.3 p90 -126.05 169.56 12.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.67 16.57 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 148.99 2.26 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -91.26 156.7 43.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.9 Cg_endo -69.79 1.67 4.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 5.7 ptm180 -138.14 152.45 71.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.89 58.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD1' ' A' ' 81' ' ' TYR . 90.5 t -126.65 149.81 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -97.25 -32.97 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.5 tp -151.52 157.48 42.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 95.0 t -131.52 141.66 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -130.87 117.28 19.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -106.89 139.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.8 p -133.29 113.71 12.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -106.95 146.0 31.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.15 144.83 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 p -59.45 176.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -75.29 -67.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -48.09 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.0 94.58 1.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.77 -44.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -112.27 113.3 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.838 ' HB3' HG23 ' A' ' 43' ' ' VAL . 82.2 p -134.1 165.43 25.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.17 -163.07 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -171.59 147.6 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -141.91 154.85 45.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -117.47 138.61 51.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -139.86 160.48 60.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.73 148.46 65.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 -11.39 10.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -98.09 7.14 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -89.49 126.01 35.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 72.7 p -109.75 12.81 23.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 p -166.28 150.84 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -157.07 148.19 21.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.5 mtp -95.4 161.51 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -139.54 153.27 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.56 -177.31 20.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 127.32 10.61 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.378 -0.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.77 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.0 t -99.65 179.98 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 p -107.67 152.22 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 t 45.76 30.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.9 m -123.32 133.28 54.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -81.51 121.96 26.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -109.73 133.67 52.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 m -92.68 96.87 10.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.1 t -84.73 139.65 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' HG2' HG23 ' A' ' 88' ' ' THR . 14.7 ttp180 -134.18 117.56 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.01 106.57 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 35.9 m -105.06 104.28 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -84.54 113.45 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 86' ' ' SER . 3.9 mm? -84.64 107.67 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 51.5 m-85 -76.7 148.04 78.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.699 0.761 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.43 26.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.74 -91.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.73 110.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.53 -175.12 15.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.5 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 77.7 p -173.86 146.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 42.4 t -95.78 -178.05 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 76' ' ' ARG . 19.4 m -152.14 105.74 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.9 mt -95.16 109.69 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.38 145.53 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.74 120.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -96.39 127.15 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -125.37 132.62 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.2 m -96.05 106.47 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -53.64 160.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.03 166.29 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.78 132.79 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.86 144.4 64.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.86 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -98.8 149.69 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.8 -25.53 28.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' PRO . 42.0 m -35.73 144.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -104.0 128.5 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.15 -168.06 37.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 93.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -50.64 155.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.3 m -64.33 160.89 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -126.29 42.32 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -135.62 133.47 38.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.94 -48.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -84.69 49.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.829 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -45.08 132.4 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 98.41 50.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.4 pt? -36.76 149.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.98 144.74 32.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.64 67.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -150.81 -176.1 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -102.36 173.62 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 90' ' ' THR . 19.1 mt -110.06 179.51 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . . . -173.05 123.68 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -105.88 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 t -132.88 148.59 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 62.7 40.65 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.22 131.51 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -115.68 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -81.67 -14.54 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.43 21.51 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.27 164.01 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.27 125.27 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 -92.17 115.87 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -102.3 121.89 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 15' ' ' GLY . 7.6 p90 -127.82 160.02 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -132.13 170.62 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -82.73 16.8 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.21 -161.41 50.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.9 152.11 58.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -5.9 17.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 17.9 ptp180 -137.8 152.61 72.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 81' ' ' TYR . 14.0 t -122.24 153.92 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 27.4 ptt180 -91.55 -41.44 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 35.1 tp -144.0 153.55 42.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG23 ' HA2' ' A' ' 57' ' ' GLY . 58.3 t -133.74 110.57 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.548 HH21 HD11 ' A' ' 80' ' ' LEU . 24.2 mtm180 -100.51 140.43 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.8 t -129.42 125.65 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.9 p -122.05 122.23 38.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.658 ' CD1' HD22 ' A' ' 64' ' ' LEU . 13.7 p90 -115.45 142.95 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.2 p -140.86 145.65 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.5 m -62.3 176.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 t -67.44 -52.6 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' GLY . 11.7 pt-20 -84.27 44.16 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 38.17 41.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.453 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.07 -106.65 1.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.0 140.38 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 43' ' ' VAL . 53.9 p -150.87 163.45 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.56 177.11 32.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -154.27 121.11 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.5 HG22 ' HB ' ' A' ' 40' ' ' VAL . 8.0 t -117.79 161.2 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -120.36 136.83 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -138.96 155.55 72.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.8 Cg_endo -69.8 143.66 51.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.592 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -51.94 -16.71 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.99 -33.38 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.23 115.79 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -98.87 20.6 12.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.5 p -169.69 144.07 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.1 mtp -85.35 164.64 17.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.6 mt -139.9 144.0 36.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.47 175.84 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.98 9.08 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.38 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.42 179.11 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 95' ' ' THR . 17.0 t -95.39 176.95 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 p -107.87 150.69 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 t 43.71 30.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.3 m -123.73 125.91 45.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 57.3 m -69.48 139.4 53.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -133.72 128.0 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -89.02 104.38 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 26' ' ' VAL . 60.0 t -85.76 153.3 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 90' ' ' THR . 21.6 mtp180 -149.01 112.15 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -95.66 95.96 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -78.7 111.07 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m -97.84 100.84 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HH21 ' A' ' 39' ' ' ARG . 11.3 mt -96.88 110.61 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 35' ' ' VAL . 47.2 m-85 -82.53 151.93 66.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.699 0.761 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.32 -79.65 0.75 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.4 124.5 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.15 158.59 9.04 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 80' ' ' LEU . 80.8 p -174.26 174.86 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -161.79 166.0 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 m -140.31 105.24 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.24 103.72 16.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -86.02 144.33 27.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.31 125.33 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.497 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 6.0 mmt85 -85.41 144.15 28.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.0 p -150.67 124.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.4 m -96.92 109.74 22.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 68' ' ' SER . 6.8 p -55.72 157.84 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -77.04 171.1 15.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -87.98 134.74 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.68 144.51 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -36.42 10.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 58.5 m 49.47 55.02 16.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 54.3 Cg_endo -69.79 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PRO . 74.6 m 35.06 37.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 104' ' ' GLY . 82.0 p -89.15 -48.76 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -33.24 96.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 103' ' ' SER . 53.9 Cg_endo -69.74 -30.09 22.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.6 p -115.76 176.53 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -59.21 -52.62 64.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.435 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -107.21 139.38 41.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -102.72 154.39 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.87 107.58 3.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -40.43 115.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.68 91.68 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 81.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.12 115.11 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 145.62 83.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.59 30.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' O ' HD21 ' A' ' 89' ' ' LEU . 34.7 mmt180 -149.34 179.2 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -115.74 144.75 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 89' ' ' LEU . 16.0 mt -87.42 160.9 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.06 138.06 6.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -117.3 123.37 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . 35.5 t -132.5 173.32 11.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' SER . 70.1 m-20 38.35 37.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.42 135.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -121.54 -178.58 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -80.82 -21.5 40.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -126.07 20.44 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.38 165.24 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.1 125.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -89.56 119.87 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.8 p -113.47 114.51 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -125.96 170.08 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -135.58 -176.76 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.6 16.5 17.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.29 137.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.79 150.86 79.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -2.83 10.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 7.4 ptp180 -125.18 156.19 70.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 147.36 63.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 81' ' ' TYR . 99.0 t -131.32 150.11 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 10.5 ptm180 -99.53 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 37.8 tp -149.36 151.37 33.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.88 113.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -103.6 138.48 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 47.7 t -130.03 131.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.599 HG22 ' HB2' ' A' ' 52' ' ' GLN . 31.8 p -126.51 125.81 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -115.92 153.84 30.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.4 145.81 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -75.17 158.2 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 p -53.0 137.44 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 52.41 39.1 26.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.28 166.67 23.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.97 -129.46 3.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -75.82 100.99 4.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -106.53 146.17 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.21 163.52 28.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.5 tt0 -140.43 117.11 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.2 t -109.86 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -119.21 139.87 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -136.46 159.98 68.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.6 Cg_endo -69.8 149.56 66.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -13.93 4.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.85 20.57 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -91.88 113.76 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.2 p -105.48 17.87 23.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 p -174.05 133.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.94 157.35 45.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.7 mtp -108.13 161.69 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 42' ' ' TYR . 18.7 mt -136.85 154.52 50.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 140.18 172.15 12.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 54.2 Cg_endo -69.73 125.89 8.98 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.34 0.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 64' ' ' LEU . 25.8 mt -98.17 -177.12 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 95' ' ' THR . 7.2 t -95.22 175.86 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 p -109.0 150.32 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t 45.94 29.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.3 m -126.68 126.15 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.2 m -76.36 131.43 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -119.88 132.26 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -88.47 102.65 15.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.43 132.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.1 ttm105 -121.72 109.45 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.6 t -96.25 110.03 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.41 125.39 53.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.7 m -104.19 104.63 14.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' LEU . 4.1 mm? -77.92 109.85 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 37.8 m-85 -78.91 146.25 67.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.93 9.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.19 70.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.91 -140.11 35.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 20.0 t -172.42 159.5 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -114.37 163.89 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 17.1 m -142.45 116.24 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 14' ' ' LEU . 8.7 mt -106.42 107.28 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.5 p -84.15 130.04 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.43 124.49 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -100.85 119.53 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.23 140.27 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.0 m -102.39 107.7 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 68' ' ' SER . 11.9 p -54.97 161.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -83.22 167.53 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -73.48 138.71 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.1 145.35 52.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.16 39.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.0 p -159.85 121.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.683 0.754 . . . . 0.0 110.807 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.03 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 t -86.8 123.75 32.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 m -108.69 176.69 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.36 161.77 13.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.14 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.5 t -59.49 160.1 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 p -39.27 121.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -139.31 159.35 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -134.36 161.79 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.65 104.63 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 79.4 p -84.5 87.17 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 19.7 m 35.57 53.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.75 155.8 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.67 172.72 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.62 143.99 11.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.129 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.9 11.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.89 8.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -147.55 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -111.39 175.18 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 26' ' ' VAL . 12.5 mt -104.64 156.09 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.03 129.24 4.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 75' ' ' VAL . 94.8 m-85 -108.87 127.52 54.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' VAL . 79.0 p -136.09 175.73 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t0 38.62 30.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' SER . 64.2 t -61.48 141.11 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 m -132.99 172.31 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -82.56 0.5 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -130.04 3.54 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.89 172.66 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.93 128.96 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -93.69 134.7 35.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -116.86 133.05 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -137.71 148.9 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -122.53 162.86 20.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -80.27 13.35 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.59 155.9 3.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -97.71 156.73 35.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.1 Cg_endo -69.73 -8.39 23.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 81' ' ' TYR . 1.2 ptm85 -129.03 155.05 80.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.86 52.15 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' CE1' ' A' ' 81' ' ' TYR . 24.6 t -117.92 150.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -94.65 -38.2 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 tp -152.2 151.81 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.25 108.77 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -100.79 108.57 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 77' ' ' VAL . 60.2 t -99.99 148.94 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -147.23 126.22 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 64' ' ' LEU . 9.2 p90 -111.76 152.95 27.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 ' HB3' ' A' ' 50' ' ' SER . 11.9 p -151.77 143.09 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -59.89 179.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 t -87.06 -28.89 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -97.77 26.85 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.25 77.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.2 124.48 43.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.661 ' HB3' HG23 ' A' ' 43' ' ' VAL . 60.3 p -143.59 157.77 44.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.61 -160.32 8.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -171.46 123.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 10.8 t -124.09 153.73 41.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -117.72 138.53 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -142.03 155.42 65.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 54.4 Cg_endo -69.72 145.83 58.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.03 -13.65 3.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.65 -25.37 23.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 113.0 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.2 p -99.9 22.2 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.4 p -169.97 135.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.92 156.1 47.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.531 ' O ' HD23 ' A' ' 64' ' ' LEU . 23.8 mtp -103.73 160.68 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 63' ' ' MET . 11.6 mt -139.69 148.9 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.89 23.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.95 13.39 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.346 0.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.6 mt -99.91 178.51 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.8 t -99.43 -179.98 4.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' THR . 86.2 p -106.07 155.46 19.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 39.78 28.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' SER . 86.0 m -120.77 124.47 45.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 m -69.26 134.97 49.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -123.75 116.77 23.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.2 m -80.1 96.59 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 16' ' ' PHE . 24.7 t -79.01 140.25 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 3.6 ttt85 -132.46 101.88 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 40' ' ' VAL . 41.7 t -92.7 114.82 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.4 m -95.26 119.56 33.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.74 99.78 9.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 86' ' ' SER . 8.3 mt -98.82 104.94 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.834 ' CE1' HG22 ' A' ' 35' ' ' VAL . 27.9 m-85 -77.15 152.5 82.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.712 0.768 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.07 34.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.74 -89.05 0.56 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.91 59.26 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.78 153.02 24.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 80' ' ' LEU . 83.2 p -174.55 163.36 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.97 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 8.8 m -147.46 135.81 21.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.01 106.64 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 p -80.09 141.1 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.76 130.15 2.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -105.85 130.99 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 16' ' ' PHE . 2.6 p -134.98 132.58 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -95.58 109.81 22.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.0 p -53.88 148.14 10.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.52 174.49 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' N ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -87.39 132.45 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.6 65.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.12 69.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.1 m -88.9 152.85 49.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.688 0.756 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.09 37.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.9 p -81.5 47.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -105.52 163.59 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.81 83.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.76 -42.0 3.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' PRO . 3.2 m 35.38 48.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -71.82 157.19 38.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 51.3 41.69 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 63.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.98 176.88 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t 49.25 39.49 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.77 156.75 53.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.45 96.53 6.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.72 121.42 0.87 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 125.77 12.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.55 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -152.58 -175.08 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -102.36 156.15 17.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 90' ' ' THR . 12.7 mt -95.05 163.71 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.29 144.01 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -127.72 123.11 34.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' ASP . 3.1 m -133.2 177.5 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' SER . 2.5 t70 37.0 37.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.57 143.88 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -132.47 -176.16 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -84.32 -17.05 40.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.97 22.35 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.17 162.26 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.6 125.33 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -91.32 119.5 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.65 129.17 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -134.73 160.24 38.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -135.34 169.17 17.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -83.57 15.51 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.11 -159.08 33.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.12 56.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.17 9.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 10.9 ptp180 -137.89 154.53 74.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.3 47.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.5 p -129.79 145.11 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -86.9 -38.34 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.3 tt -148.13 154.47 40.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.601 ' N ' HD23 ' A' ' 37' ' ' LEU . 48.1 t -130.67 112.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.94 134.64 38.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 64.8 t -125.35 127.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 52' ' ' GLN . 24.9 p -119.63 123.73 44.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.632 ' CD2' HD22 ' A' ' 64' ' ' LEU . 31.4 p90 -117.59 152.77 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.9 p -151.14 147.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 83.7 p -73.86 164.77 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLU . 33.4 t -54.78 163.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.2 pt-20 37.73 35.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.01 179.34 11.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.71 -133.56 9.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.75 126.08 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.7 p -152.93 148.35 27.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.75 -178.34 17.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 41' ' ' THR . 41.2 tt0 -146.37 123.7 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.3 t -115.31 149.63 37.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -112.49 134.21 54.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.59 154.7 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.699 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.7 Cg_endo -69.76 145.35 56.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.658 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -53.08 -14.55 2.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.89 19.16 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -108.32 112.52 25.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -102.29 25.2 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 p -168.87 134.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.57 143.75 27.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -92.81 161.1 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 42' ' ' TYR . 12.2 mt -138.72 149.29 44.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.41 179.1 22.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.68 8.77 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.362 0.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.72 -176.41 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 95' ' ' THR . 8.1 m -98.25 170.54 8.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.92 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.2 t 52.82 36.97 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -132.2 131.71 42.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 m -75.63 124.68 27.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 6.0 m-85 -116.57 133.5 55.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 m -91.69 103.37 15.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.68 140.43 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.6 111.21 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.59 108.49 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.8 m -111.52 125.81 54.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.3 m -101.49 104.75 15.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.1 mm? -76.66 106.83 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 28.0 m-85 -80.74 144.3 55.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -7.09 20.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.94 -52.05 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.73 -47.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.83 -176.28 47.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 83.9 p -170.77 142.0 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 m -105.18 143.05 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.3 m -121.88 117.75 27.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.0 mt -102.42 115.09 29.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 14' ' ' LEU . 80.0 p -91.72 135.26 34.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -153.05 123.44 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -97.73 138.35 35.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.8 p -134.37 136.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.4 m -101.47 98.68 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 68' ' ' SER . 9.2 p -44.64 161.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -79.24 172.27 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.72 139.2 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.87 83.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.12 6.91 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 6.2 m 52.58 54.83 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.9 Cg_endo -69.75 97.21 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' PRO . 12.7 t -34.52 140.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 m -90.42 136.34 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.2 -176.01 25.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -3.06 11.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.0 p -71.72 88.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -155.45 158.03 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -71.05 87.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -131.53 80.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 47.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -71.32 140.02 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -88.25 -57.33 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 122.97 0.64 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.38 127.32 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.58 141.07 11.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.32 69.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -135.48 -179.0 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -98.5 142.39 30.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.21 172.36 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -160.18 128.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -105.73 138.48 41.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.901 0.382 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -146.45 163.95 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 49.24 26.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.92 137.51 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.466 ' CA ' ' HG3' ' A' ' 96' ' ' LYS . 37.9 m -126.57 -177.73 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 98' ' ' ALA . 19.5 p-80 -81.53 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -130.82 17.03 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.64 168.99 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.19 122.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -88.53 140.45 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.1 p -128.5 114.84 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 48.5 p90 -119.4 158.26 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -131.85 171.59 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -92.03 11.01 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.52 -175.08 35.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -127.61 155.36 77.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.8 Cg_endo -69.79 1.18 4.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 3.3 ptp180 -146.14 154.51 50.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.64 51.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' CA ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -122.62 150.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -100.09 -27.57 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OE2' ' A' ' 54' ' ' GLU . 18.1 tp -156.97 148.72 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -126.78 118.26 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -107.67 107.65 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 77' ' ' VAL . 42.7 t -92.56 143.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.5 p -139.94 123.36 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 16.4 p90 -114.48 152.68 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 44' ' ' SER . 7.7 p -146.42 154.98 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 43' ' ' VAL . 94.6 p -91.29 87.15 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t 61.6 50.52 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 38.24 43.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.91 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.64 -140.4 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 49' ' ' HIS . 2.5 t-160 -59.9 121.61 12.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.3 p -133.46 151.24 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -138.97 -174.56 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -164.49 117.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 9.9 t -118.79 161.81 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' OE2' HD21 ' A' ' 37' ' ' LEU . 24.2 mt-10 -120.35 143.57 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.74 153.64 54.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.73 147.08 62.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -55.94 -12.97 5.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -87.7 -32.51 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -60.36 118.38 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 p -102.37 19.77 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.1 p -173.0 138.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.9 158.94 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.3 mtp -104.41 158.19 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.85 154.98 49.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 136.77 171.73 12.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.1 Cg_endo -69.83 135.24 33.02 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.31 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.5 mt -111.3 174.0 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.9 t -85.07 -178.82 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 24.8 p -113.98 147.54 38.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t 49.86 26.96 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 m -117.61 137.94 52.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -85.32 114.75 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 44' ' ' SER . 12.9 m-85 -109.32 126.0 52.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.3 m -88.12 106.73 18.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -93.24 149.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 90' ' ' THR . 26.7 mtt180 -143.91 110.77 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 40' ' ' VAL . 60.8 t -94.21 103.73 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 87' ' ' SER . 19.1 m -97.35 114.31 26.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.46 103.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.1 mm? -74.71 105.88 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 41.8 m-85 -80.78 143.25 53.8 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.83 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.45 -106.96 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.59 65.74 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.56 168.12 35.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 p -169.77 138.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 t -97.03 170.44 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.9 m -146.33 104.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.26 107.83 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 76' ' ' ARG . 6.7 p -91.18 135.34 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.6 127.14 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -96.73 124.85 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' VAL . 2.6 p -129.18 104.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.6 m -69.06 105.13 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.8 p -47.84 146.0 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.872 ' HE3' HG13 ' A' ' 19' ' ' VAL . 7.3 mttt -72.84 166.71 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -71.79 141.04 49.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 21' ' ' HIS . . . -98.7 142.01 23.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.533 0.682 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.86 102.69 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.498 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -35.27 -60.28 0.6 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.817 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.6 Cg_endo -69.79 161.24 46.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.9 m -77.11 -62.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 39.65 50.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.23 -166.84 26.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.72 13.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -142.34 108.34 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 p -124.83 169.63 11.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -53.23 -56.4 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.798 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -80.32 83.51 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.4 -174.06 13.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -85.24 101.21 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 m -78.71 77.5 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.39 -172.43 36.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 tt -174.91 136.29 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.48 136.59 24.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 145.12 55.94 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 53.9 Cg_endo -69.77 -29.22 24.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 1.9 mmp_? -161.92 -178.69 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' A' ' 29' ' ' GLU . 5.6 p-80 -96.6 152.11 18.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 91' ' ' GLY . 12.7 mt -97.53 151.02 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.51 154.31 21.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 26' ' ' VAL . 93.9 m-85 -137.3 119.8 15.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -129.3 155.79 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.26 26.41 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.0 129.71 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -174.98 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 42.4 p-80 -90.24 -9.26 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 13.8 t0 -131.9 9.88 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.34 163.17 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.3 126.23 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -91.23 117.82 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 p -109.86 122.44 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 9.1 p90 -126.11 133.33 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 4.5 p90 -105.73 168.36 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 7.8 mt-10 -83.44 15.64 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 -165.92 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 152.41 74.46 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -7.31 20.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 4.1 ptt180 -129.55 157.04 77.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.66 55.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.5 t -124.14 148.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -104.2 -28.37 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 37.7 tp -160.41 156.98 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 48.4 t -134.99 143.98 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.59 HH12 HD21 ' A' ' 80' ' ' LEU . 9.4 ttp-105 -130.81 104.35 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.28 133.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 52' ' ' GLN . 18.7 p -133.64 119.16 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 p90 -111.02 146.04 37.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 50' ' ' SER . 9.3 p -139.95 142.5 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' SER . 25.5 p -61.24 152.09 29.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' SER . 4.2 t -35.11 -47.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.49 173.91 6.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.01 100.42 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.79 -73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -94.83 149.53 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.594 ' HB3' HG23 ' A' ' 43' ' ' VAL . 96.4 p -169.4 160.44 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.86 -169.01 11.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.539 ' HB2' HG22 ' A' ' 41' ' ' THR . 27.8 tt0 -171.86 113.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.4 t -119.61 144.74 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -105.38 146.62 29.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.73 54.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.86 67.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.348 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.31 -16.67 35.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -89.73 -5.41 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 125.67 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 p -101.07 4.79 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 27' ' ' PHE . 40.7 t -158.0 162.28 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -150.64 144.24 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.486 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -81.15 150.13 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.655 HD22 ' CD1' ' A' ' 42' ' ' TYR . 40.5 mt -126.15 156.54 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.05 171.46 12.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 133.86 27.28 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.393 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 42' ' ' TYR . 18.3 mt -110.54 -177.59 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' THR . 14.3 t -94.97 -178.43 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -109.81 148.08 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t 43.6 31.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -122.52 131.07 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 92' ' ' ARG . 97.6 m -77.44 134.76 38.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -124.22 151.4 44.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.7 m -107.13 102.93 12.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -85.86 141.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HG2' HG23 ' A' ' 88' ' ' THR . 16.8 ttp180 -132.36 111.07 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -96.84 98.2 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.436 HG22 HD22 ' A' ' 80' ' ' LEU . 23.4 m -92.16 103.3 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 62.5 m -86.41 103.59 15.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.59 HD21 HH12 ' A' ' 39' ' ' ARG . 2.7 mm? -81.26 108.33 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 49.6 m-85 -76.58 149.94 81.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.67 0.747 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -24.1 29.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.31 -121.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.46 97.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.4 -177.05 21.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.522 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 88.0 p -169.19 161.31 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 t -120.27 163.55 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 76' ' ' ARG . 51.7 m -142.08 111.18 6.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.61 110.43 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 14' ' ' LEU . 72.0 p -87.32 130.41 34.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 14' ' ' LEU . . . -143.86 122.82 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 72' ' ' THR . 4.3 mmt85 -93.4 143.26 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.62 139.43 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 m -104.07 109.41 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 68' ' ' SER . 17.3 p -60.14 143.08 53.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 13.4 mttt -68.18 161.27 27.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -59.37 157.58 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . -95.54 143.48 26.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.545 0.688 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.0 p -139.2 145.13 43.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.757 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 m -86.7 166.86 14.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -88.94 163.91 15.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.94 83.48 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.83 23.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -127.13 126.0 42.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.7 m -92.98 156.24 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -155.01 160.75 41.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -165.34 174.05 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 151.18 12.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -100.81 159.75 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -56.3 150.68 14.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.45 63.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -97.34 129.41 44.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.669 ' N ' HD13 ' A' ' 8' ' ' LEU . . . -108.94 132.96 20.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.37 66.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.268 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.75 10.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -156.34 -176.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.46 168.16 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 89' ' ' LEU . 14.2 mt -107.52 167.68 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.56 144.52 11.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.29 117.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -133.42 158.4 43.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.94 27.95 15.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.7 138.24 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 m -125.66 179.48 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.599 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 3.6 p-80 -84.1 -9.16 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -133.4 13.94 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.8 171.42 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.26 125.0 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -89.89 129.63 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.98 119.23 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -124.41 149.9 46.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' HG21 ' A' ' 77' ' ' VAL . 2.9 p90 -120.12 175.51 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -92.87 7.99 41.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.63 150.91 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.49 152.56 40.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -5.26 15.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -118.42 156.14 51.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 141.49 45.63 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' A' ' 81' ' ' TYR . 47.3 t -122.91 143.14 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -93.26 -37.31 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 41.1 tp -146.13 162.61 37.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 76.6 t -141.33 111.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -100.79 132.94 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 53' ' ' THR . 81.4 t -121.28 124.64 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -121.2 118.39 29.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.588 ' CD1' HD22 ' A' ' 64' ' ' LEU . 19.7 p90 -111.93 150.26 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 50' ' ' SER . 13.2 p -150.85 143.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' A' ' 73' ' ' TYR . 16.8 m -63.15 163.63 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 72' ' ' THR . 29.7 t -44.3 -46.11 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.37 134.45 41.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.79 106.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.11 -99.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -67.92 121.33 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 43' ' ' VAL . 61.7 p -150.94 159.62 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.88 174.16 22.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -148.25 114.3 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 40' ' ' VAL . 15.0 t -113.93 153.02 29.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -113.91 140.43 48.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.51 154.65 73.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.9 Cg_endo -69.69 148.26 65.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.12 -12.62 4.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.5 -24.5 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -68.75 119.68 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 p -106.19 13.96 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 143.25 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.5 146.01 30.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 mtp -94.66 146.19 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.5 mt -122.45 143.09 49.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 150.96 174.0 21.5 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.4 Cg_endo -69.75 133.59 26.21 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.309 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.26 179.08 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.6 t -85.46 178.45 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.62 139.08 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t 53.14 36.96 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.0 m -128.15 140.46 51.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 28.5 m -81.46 118.86 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' A' ' 44' ' ' SER . 8.8 m-85 -112.18 129.11 56.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 m -85.87 107.32 17.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 76' ' ' ARG . 59.4 t -94.88 153.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HG2' HG22 ' A' ' 90' ' ' THR . 25.8 mtp180 -150.19 113.54 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.464 HG21 ' CE3' ' A' ' 28' ' ' TRP . 93.5 t -97.05 91.55 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -73.0 111.6 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 83.2 m -101.24 94.48 5.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.799 HD23 ' HB3' ' A' ' 86' ' ' SER . 8.5 mt -86.98 122.71 31.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.765 ' CD1' HG22 ' A' ' 35' ' ' VAL . 33.3 m-85 -94.47 151.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 81.78 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.39 -36.86 3.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.9 -26.34 57.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.98 -134.68 7.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.481 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.799 ' HB3' HD23 ' A' ' 80' ' ' LEU . 76.6 p -171.14 171.69 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -156.01 161.0 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 m -135.4 109.5 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.485 ' O ' HD11 ' A' ' 14' ' ' LEU . 18.3 mt -96.78 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.756 HG22 ' HG2' ' A' ' 76' ' ' ARG . 21.7 p -85.78 147.22 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.66 123.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -90.04 132.14 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 93' ' ' VAL . 10.9 p -137.64 126.23 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -94.72 109.65 21.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.8 p -53.81 157.29 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -72.94 167.47 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -78.76 133.28 37.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 143.01 86.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.599 ' HD3' ' CD2' ' A' ' 21' ' ' HIS . 53.5 Cg_endo -69.72 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.1 m -49.13 -58.87 7.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.77 5.14 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 101' ' ' PRO . 5.7 p -32.48 137.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 t -134.39 159.26 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.82 99.69 2.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.05 3.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 p -96.81 146.9 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.8 p -150.42 175.1 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -81.68 86.13 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -157.24 174.04 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.49 -135.59 5.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -141.51 146.05 35.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -119.96 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.77 102.82 1.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.1 mm? -92.52 137.23 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 145.98 95.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.689 . . . . 0.0 111.072 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.7 Cg_endo -69.75 113.37 3.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.262 . . . . 0.0 112.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.8 Cg_endo -69.76 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.316 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -147.79 177.19 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -105.96 158.18 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 90' ' ' THR . 8.0 mt -88.86 168.36 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -145.34 126.05 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 26' ' ' VAL . 97.5 m-85 -113.94 123.05 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -136.77 161.58 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 28.61 11.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.0 128.24 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -111.86 -176.4 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -84.78 -11.94 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.3 21.73 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -174.92 161.78 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.96 126.48 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -89.85 124.1 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 26' ' ' VAL . 14.7 p -111.08 117.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 9.5 p90 -125.97 154.13 43.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -122.42 157.71 31.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.89 9.05 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.18 169.2 39.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.08 153.47 49.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.682 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 155.99 70.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.76 41.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.18 138.4 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -100.21 -29.74 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 15.1 tp -158.62 152.11 23.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 59.2 t -129.62 133.36 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -119.19 109.9 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.24 143.2 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 52' ' ' GLN . 51.1 p -145.41 125.15 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' CD1' HD22 ' A' ' 64' ' ' LEU . 4.6 p90 -114.12 155.19 26.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.04 147.22 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -65.44 162.86 16.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -62.91 -42.69 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.18 39.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.19 175.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.81 -103.98 2.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -55.5 106.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 p -137.41 144.68 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.38 176.17 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG3' HG22 ' A' ' 41' ' ' THR . 8.7 tt0 -154.11 125.54 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -129.84 139.75 51.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -106.91 145.14 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -144.32 156.42 57.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.72 153.68 68.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.27 -14.13 8.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -86.57 -25.35 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.78 114.68 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 p -105.8 17.48 23.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 p -166.09 136.84 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.61 145.31 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 mtp -91.26 155.9 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 42' ' ' TYR . 7.9 mt -131.79 143.58 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.46 -177.29 27.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.54 11.1 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.336 0.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 22.7 mt -101.42 -179.38 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' THR . 62.1 p -103.47 -178.31 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -105.09 159.63 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t 40.02 33.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.6 m -124.96 120.37 31.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 m -76.13 122.78 24.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -118.31 129.28 55.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -86.93 116.56 25.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 90' ' ' THR . 96.6 t -99.91 150.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.97 114.89 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 14' ' ' LEU . 22.4 t -101.92 97.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.451 HG22 HD22 ' A' ' 80' ' ' LEU . 6.9 m -89.3 112.7 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.5 m -96.14 94.69 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD22 HG22 ' A' ' 78' ' ' THR . 4.3 mm? -72.18 108.96 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 19.2 m-85 -82.55 145.83 52.1 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.705 0.765 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.38 36.03 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.56 85.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.54 53.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.34 -152.55 29.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.509 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 12.0 m -165.57 167.58 17.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -137.74 160.64 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -124.8 97.67 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.213 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD11 ' A' ' 14' ' ' LEU . 15.6 mt -86.74 101.54 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.34 158.25 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.25 125.52 1.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.65 124.63 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -129.15 113.2 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.6 m -81.99 109.07 16.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.2 p -55.74 151.27 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -70.64 164.08 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -75.14 133.66 41.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.23 141.95 94.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.1 p -73.11 150.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.44 2.68 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -49.97 111.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -75.44 134.56 40.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.33 71.35 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.94 32.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -116.9 157.49 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 m -83.82 -51.55 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -164.01 136.86 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -171.97 151.3 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.05 111.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -100.78 93.58 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -87.36 -44.04 11.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 66.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -120.79 129.83 53.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -172.05 162.51 4.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.046 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.0 Cg_endo -69.75 122.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 0.0 112.4 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.08 3.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -147.04 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.18 158.59 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 90' ' ' THR . 12.9 mt -95.8 178.12 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.24 136.67 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.89 123.87 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -132.6 158.01 43.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t0 51.3 39.41 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.01 126.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -116.92 -179.88 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -85.05 -5.72 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -133.94 12.61 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -173.4 168.09 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.09 126.99 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -91.43 133.64 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.22 124.4 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 11.7 p90 -125.79 138.3 53.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 61' ' ' SER . 3.1 p90 -113.29 168.0 10.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -90.76 15.24 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.36 15.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -114.76 161.54 28.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.535 0.683 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.3 Cg_endo -69.76 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -121.98 156.02 60.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.9 49.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 81' ' ' TYR . 95.9 t -120.28 142.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 82' ' ' PRO . 9.0 ptm180 -97.04 -26.17 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -155.9 151.81 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.44 118.59 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -113.53 114.5 26.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG13 ' A' ' 77' ' ' VAL . 16.1 t -105.39 150.01 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 p -145.99 113.94 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 14.2 p90 -106.37 154.74 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 ' HB3' ' A' ' 50' ' ' SER . 14.6 p -148.4 144.9 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -68.0 -74.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 42.3 t -172.08 166.63 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 45' ' ' SER . 19.2 pt-20 46.38 31.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.23 39.31 42.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.88 -106.93 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -78.9 116.52 19.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.712 ' HB3' HG23 ' A' ' 43' ' ' VAL . 90.0 p -134.78 151.89 51.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -112.11 -164.36 17.11 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -174.41 115.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 t -123.94 173.76 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -138.13 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -156.58 156.13 29.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.8 Cg_endo -69.71 154.0 68.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.53 -12.76 6.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.72 -28.64 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.06 116.28 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 p -97.53 1.66 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -157.66 156.83 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.63 159.2 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtp -99.26 144.93 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.93 150.47 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.78 175.73 15.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 133.39 25.34 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.395 0.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 20.2 mt -107.63 -177.74 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 95' ' ' THR . 9.1 m -94.34 174.2 7.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.57 141.71 41.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 t 56.53 34.46 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 98.5 m -131.26 137.64 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -74.57 136.56 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -128.17 114.81 17.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -80.61 91.46 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLY . 90.1 t -84.14 133.63 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -131.21 111.39 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG13 HG22 ' A' ' 40' ' ' VAL . 40.1 t -92.06 105.5 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -96.82 105.6 17.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.75 101.99 8.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 39' ' ' ARG . 3.8 mm? -72.49 109.38 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 21.8 m-85 -82.48 147.41 56.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 -18.63 36.74 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.54 91.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.94 45.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.43 -152.71 51.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 63.0 m -158.79 153.62 24.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 78' ' ' THR . 6.9 m -102.93 178.08 4.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.1 m -151.27 105.37 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 14' ' ' LEU . 10.8 mt -92.92 105.18 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.752 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p -80.29 148.66 30.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -162.26 116.18 0.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -91.74 128.65 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -132.1 129.99 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.4 m -94.7 99.02 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 68' ' ' SER . 16.3 p -46.2 146.96 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -66.01 170.07 6.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -80.56 139.83 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.05 148.41 94.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.501 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 1.0 OUTLIER -53.14 -60.19 7.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 110.843 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 100' ' ' SER . 53.8 Cg_endo -69.7 109.99 2.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -64.2 -53.78 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.6 t -45.63 145.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.31 81.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' SER . 98.5 p -74.12 162.73 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . 31.0 t -35.7 -45.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -157.51 162.26 38.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -129.77 113.09 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.46 -134.56 6.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -95.1 163.37 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -117.81 80.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 102.62 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.49 39.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.01 137.28 1.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 111.064 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.86 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.4 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -150.02 -179.65 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -104.56 143.53 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.7 mt -89.52 163.09 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' PHE . . . -167.33 137.36 4.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.538 ' CD2' ' HB ' ' A' ' 93' ' ' VAL . 35.8 m-85 -108.32 144.8 35.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' VAL . 29.0 t -139.18 167.88 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 38.95 25.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG23 ' CB ' ' A' ' 24' ' ' ALA . 4.7 p -64.49 148.38 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -129.76 174.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -76.07 -13.41 60.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -122.34 4.29 9.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.18 173.3 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.73 ' CB ' HG23 ' A' ' 19' ' ' VAL . . . -161.44 129.78 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -100.18 105.35 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.38 133.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 45.8 p90 -137.55 147.47 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.413 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 5.4 p90 -125.17 171.7 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.56 16.55 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.19 177.21 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.93 50.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.37 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -140.63 152.35 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.59 57.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CA ' ' A' ' 57' ' ' GLY . 2.1 p -130.9 156.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 ptt85 -94.7 -40.58 9.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.5 tt -145.35 160.53 41.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.722 ' N ' HD23 ' A' ' 37' ' ' LEU . 53.6 t -137.47 119.86 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -100.89 139.03 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 93.4 t -130.09 122.86 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -117.42 114.31 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' HD22 ' A' ' 64' ' ' LEU . 19.9 p90 -107.61 142.26 37.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.0 p -142.53 151.93 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -58.06 -177.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 46' ' ' GLU . 54.5 p -71.3 -66.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 45' ' ' SER . 12.0 pt-20 -78.56 -29.32 46.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.28 169.42 13.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.84 -56.32 0.68 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -114.06 127.18 55.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.826 ' HB3' HG23 ' A' ' 43' ' ' VAL . 35.3 p -151.43 173.98 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.94 -177.75 28.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -155.03 107.44 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 40' ' ' VAL . 12.3 t -106.58 150.98 25.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.3 136.25 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -134.12 159.85 70.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.78 152.08 69.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -63.89 -6.8 19.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -104.35 6.5 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -93.59 123.64 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 81.0 p -105.6 14.52 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.7 p -166.31 141.6 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.96 156.3 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 mtp -102.53 153.82 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 42' ' ' TYR . 15.9 mt -132.73 145.18 50.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 149.73 174.21 20.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.2 Cg_endo -69.82 133.84 27.32 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.332 0.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 15.7 mt -108.78 174.76 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' HG21 ' A' ' 95' ' ' THR . 43.5 t -86.27 -178.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -110.39 150.55 28.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.2 t 40.19 31.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 88.5 m -120.26 124.75 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 m -73.9 113.37 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -107.42 135.43 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.8 m -87.03 112.67 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.27 127.17 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD2' HG22 ' A' ' 90' ' ' THR . 8.3 tpp180 -118.09 109.29 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -95.73 100.25 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 ' OG1' HG23 ' A' ' 88' ' ' THR . 9.1 m -103.4 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.85 113.05 25.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.0 mm? -86.34 104.42 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 86' ' ' SER . 35.4 m-85 -74.32 145.08 82.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.702 0.763 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.51 108.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.548 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.13 -119.16 1.76 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.423 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.28 -153.64 15.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 58.3 p -167.62 137.29 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 t -108.0 150.76 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' ' 78' ' ' THR . 19.6 m -136.02 105.2 5.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.36 110.37 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 76' ' ' ARG . 1.1 p -87.97 135.47 33.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.23 140.0 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -106.62 148.29 28.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 16' ' ' PHE . 2.7 p -140.55 112.72 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.3 m -79.75 104.59 10.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 68' ' ' SER . 3.5 p -48.24 135.91 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.587 ' HE3' HG12 ' A' ' 19' ' ' VAL . 11.9 mttt -57.3 166.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -74.5 138.44 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.99 144.03 35.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.554 0.692 . . . . 0.0 111.146 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.32 67.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.6 m -46.67 150.65 1.2 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.53 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.385 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 103' ' ' SER . 89.8 p -107.58 177.13 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' SER . 33.9 t -36.61 -54.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.15 83.2 1.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.95 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 m -127.4 160.73 30.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -92.97 151.49 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 46.07 42.05 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -164.63 144.48 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.28 82.01 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -122.48 -56.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 67.7 m -138.09 114.52 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.51 144.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 20.62 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.07 125.6 18.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.83 116.32 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.76 -50.81 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -127.63 -174.97 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -109.76 154.05 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 13.3 mt -101.6 158.93 15.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.68 158.45 27.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 89.0 m-85 -138.0 120.87 16.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -132.42 161.88 32.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 50.52 38.87 19.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.5 135.69 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -121.24 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -80.8 -25.62 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.62 24.09 6.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.01 161.11 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.74 126.48 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -94.77 116.42 28.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG21 HG11 ' A' ' 75' ' ' VAL . 7.3 p -108.15 124.89 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -131.4 170.54 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 60' ' ' THR . 3.8 p90 -138.0 161.6 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -79.08 5.38 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.84 136.86 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -72.13 159.13 86.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 54.4 Cg_endo -69.75 3.07 2.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.363 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 6.1 ptm85 -151.02 153.25 32.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.04 44.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG13 ' CA ' ' A' ' 57' ' ' GLY . 1.5 p -122.2 157.66 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 54.6 ptt85 -92.7 -45.49 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 22.0 tp -135.55 151.08 49.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.9 106.12 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -93.85 116.03 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.07 141.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 52' ' ' GLN . 40.3 p -139.69 134.46 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.641 ' CD1' HD22 ' A' ' 64' ' ' LEU . 8.8 p90 -123.44 145.83 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -146.87 145.32 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.0 t -66.96 155.38 38.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' SER . 60.8 p -36.13 -37.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.92 159.48 23.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.43 110.93 3.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.46 -92.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -91.12 116.26 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 43' ' ' VAL . 24.8 p -135.74 151.57 50.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -134.81 -178.77 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB2' HG22 ' A' ' 41' ' ' THR . 33.4 tt0 -159.49 112.8 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -115.91 139.2 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.74 143.63 32.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -143.23 157.34 60.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.77 143.89 52.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' CA ' HG13 ' A' ' 35' ' ' VAL . . . -49.5 -17.53 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.18 -33.78 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.03 112.94 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 67.7 p -103.81 25.05 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.0 p -168.2 138.19 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.25 146.79 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 29.5 mtp -94.71 164.35 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 42' ' ' TYR . 17.3 mt -140.16 139.77 35.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' HA2' HD23 ' A' ' 67' ' ' LEU . . . 153.27 174.59 23.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.9 Cg_endo -69.77 125.6 8.7 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.358 0.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 64' ' ' LEU . 17.2 mt -97.77 -178.16 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m -99.19 171.98 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 p -102.68 154.37 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t 44.11 31.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 m -127.07 123.71 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.5 m -72.58 136.38 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.97 124.57 41.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.4 m -85.17 100.53 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 26' ' ' VAL . 79.0 t -81.92 143.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HG2' HG23 ' A' ' 88' ' ' THR . 13.2 ttp180 -132.44 109.49 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -96.05 108.44 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -96.66 121.81 38.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.88 88.95 2.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 86' ' ' SER . 11.1 mt -82.04 96.56 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 29.4 m-85 -64.15 150.49 92.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.726 0.774 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -29.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.72 69.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.35 43.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.77 -142.03 32.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.541 ' HB3' HD23 ' A' ' 80' ' ' LEU . 28.2 p -153.3 -179.57 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -146.42 172.25 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 76' ' ' ARG . 85.1 m -165.15 114.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 11.3 mt -100.93 115.77 31.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 76' ' ' ARG . 39.4 p -102.2 125.53 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.16 -160.83 8.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -158.62 129.77 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 16' ' ' PHE . 5.1 p -129.41 124.32 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -90.07 107.2 18.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 68' ' ' SER . 4.1 p -57.13 156.66 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -78.85 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 134.8 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.09 141.48 62.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . 53.7 Cg_endo -69.76 -22.36 32.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' PRO . 33.4 m 34.91 55.0 1.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 100' ' ' SER . 53.5 Cg_endo -69.76 -170.74 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -97.16 80.28 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.0 m -136.49 120.22 17.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.01 -92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.6 16.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 m -61.13 169.15 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -113.58 133.89 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -142.66 146.79 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 39.85 42.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.08 49.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 61.03 43.13 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.815 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.62 172.61 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 77.55 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.47 101.12 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.62 144.74 17.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.16 64.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.2 5.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -143.68 -177.67 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -108.27 152.48 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 90' ' ' THR . 11.6 mt -93.14 171.58 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -153.48 138.67 6.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -118.83 121.26 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -135.63 159.34 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t0 55.77 25.99 9.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.17 144.15 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -128.17 -175.43 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 13.8 p-80 -88.84 -8.51 54.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -131.65 11.95 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.84 168.21 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.41 126.11 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -91.07 123.78 34.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 132.34 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 15' ' ' GLY . 16.8 p90 -134.61 147.88 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -127.54 165.88 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -88.64 15.18 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.67 175.14 50.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.98 151.26 50.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.573 0.702 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.26 15.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.635 2.224 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -119.94 152.02 53.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 142.81 48.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -133.2 141.12 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -97.67 -26.33 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 30.1 tp -149.47 159.39 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' HA2' ' A' ' 57' ' ' GLY . 57.5 t -131.79 127.29 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 18.6 mtt-85 -123.19 116.77 23.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.05 149.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 52' ' ' GLN . 4.9 p -141.28 117.08 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.4 p90 -110.43 144.3 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 44' ' ' SER . 7.4 p -140.82 153.81 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 43' ' ' VAL . 89.1 p -72.6 167.67 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.5 p -43.63 -49.14 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -111.76 138.92 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.81 105.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.65 -59.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -119.02 111.24 18.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -130.96 146.54 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.16 -174.29 13.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB2' HG22 ' A' ' 41' ' ' THR . 30.5 tt0 -164.06 126.85 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -125.66 163.33 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 33.3 mt-10 -119.3 146.19 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -150.6 157.25 36.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.703 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -69.78 143.78 51.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' HG23 ' A' ' 38' ' ' VAL . . . -53.86 -14.82 4.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.88 -31.32 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -61.34 117.36 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -102.97 12.92 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 p -158.49 137.34 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.56 159.96 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.7 mtp -107.81 147.25 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 42' ' ' TYR . 12.7 mt -120.78 167.72 12.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 129.93 173.72 13.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.75 137.27 42.98 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 19.6 mt -112.07 -176.99 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.1 m -98.64 179.96 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 p -110.82 153.44 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 t 45.38 30.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 m -125.94 136.16 52.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.5 m -81.08 132.22 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -121.67 128.09 51.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -85.97 102.07 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' GLY . 61.2 t -92.82 126.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.631 ' HG2' HG22 ' A' ' 90' ' ' THR . 34.7 mtp180 -124.66 111.28 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.95 106.74 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 87' ' ' SER . 1.3 m -102.54 109.99 21.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.7 103.45 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 80' ' ' LEU . 4.1 mm? -73.88 108.93 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 16.5 m-85 -85.68 150.35 53.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.01 6.92 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.23 -61.81 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.84 141.38 3.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' SER . . . 133.6 3.94 3.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLY . 66.2 p -32.28 117.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 78' ' ' THR . 3.7 m -98.46 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.1 m -150.63 105.97 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' HD11 ' A' ' 14' ' ' LEU . 16.2 mt -95.39 106.47 18.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 76' ' ' ARG . 8.8 p -81.79 148.81 28.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' VAL . . . -159.0 113.33 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -89.61 130.4 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 130.29 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -91.68 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 p -59.13 150.77 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 22.2 mttt -70.92 165.23 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -76.12 139.91 41.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.52 142.84 43.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 0.0 111.061 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -164.06 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.9 p -98.52 144.51 28.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 114.14 3.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -157.79 111.54 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -102.34 86.22 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.95 74.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.36 167.83 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -67.74 -61.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -78.97 159.03 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -58.01 126.53 27.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.05 -116.24 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -61.58 105.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -71.6 97.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.61 145.38 12.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.56 170.21 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.42 141.89 26.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 0.0 111.104 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.64 56.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -45.27 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HD21 ' A' ' 89' ' ' LEU . 25.7 mmt180 -147.94 -176.2 5.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.36 168.49 9.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' HD22 ' A' ' 89' ' ' LEU . 13.0 mt -110.06 155.99 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.39 153.22 23.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.84 127.46 38.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . 1.9 t -136.92 179.25 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' SER . 6.1 t0 37.33 30.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' SER . 61.9 t -63.87 148.67 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -140.8 -177.07 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -89.07 -1.36 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -130.72 5.82 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.34 160.31 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.95 122.98 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -80.09 117.79 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' VAL . 9.1 p -113.76 115.66 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -125.43 172.54 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.77 175.51 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -91.51 11.6 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.64 -176.78 52.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.54 151.06 66.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.84 24.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -129.14 160.77 62.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 151.36 69.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.396 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' A' ' 81' ' ' TYR . 50.8 t -137.3 144.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 26.2 ptt180 -88.99 -45.29 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD23 ' N ' ' A' ' 38' ' ' VAL . 1.4 tt -144.21 154.38 43.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 37' ' ' LEU . 39.9 t -128.06 115.72 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -98.3 138.86 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.93 125.25 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 p -121.43 118.89 30.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' CD1' HD22 ' A' ' 64' ' ' LEU . 10.4 p90 -112.37 147.0 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.88 152.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' SER . 11.5 t -78.59 150.51 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' SER . 5.9 t -36.18 -58.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' GLY . 9.1 pt-20 -92.78 121.81 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . . . -150.08 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -112.41 136.09 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 p -147.14 168.49 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -156.16 167.7 33.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -143.35 111.73 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.343 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -109.83 141.38 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -107.33 142.58 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.12 155.14 72.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.683 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.84 143.9 51.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.29 -16.38 2.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -89.37 -31.15 17.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.683 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -63.4 114.22 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 p -102.55 7.86 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.02 138.33 22.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -154.45 153.55 31.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 ptm -118.34 156.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 42' ' ' TYR . 1.7 mt -123.31 157.77 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' HA2' ' C ' ' A' ' 66' ' ' PRO . . . 149.95 172.36 19.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' C ' ' HA2' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.8 140.38 60.34 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.375 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 37.1 mt -114.52 173.31 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 95' ' ' THR . 1.2 p -87.08 178.98 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -106.98 152.88 23.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 t 41.68 33.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.9 m -122.66 126.26 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.4 m -70.84 122.72 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 67' ' ' LEU . 15.2 m-85 -107.81 131.37 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -94.3 102.17 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.16 140.56 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.0 ttp180 -132.46 99.89 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.6 t -86.4 102.6 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -102.94 115.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.53 111.39 23.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mm? -88.66 113.54 24.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.7 ' CD1' HG22 ' A' ' 35' ' ' VAL . 42.0 m-85 -83.26 149.0 57.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.86 31.7 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.51 117.62 0.76 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.87 -91.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.99 -133.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.2 p -162.85 148.04 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -116.16 142.23 47.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.439 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 4.3 m -120.05 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.793 HD21 ' O ' ' A' ' 12' ' ' ARG . 4.8 mt -112.81 107.87 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -85.54 133.7 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.3 122.71 1.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -99.61 123.16 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.8 p -123.57 125.61 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.2 m -89.85 111.0 21.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 68' ' ' SER . 5.6 p -59.54 142.09 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -62.8 168.28 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -77.64 146.81 35.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.38 143.68 27.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.061 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -101.88 140.84 21.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.45 28.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 m -38.48 136.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.6 p -96.95 129.96 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.7 -178.34 26.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 118.57 5.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.4 t -132.99 141.65 48.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -154.71 148.07 25.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -109.19 153.61 23.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -92.54 147.08 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.85 70.13 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -92.17 39.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -154.18 174.78 14.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 94.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.07 130.87 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.54 144.06 37.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.071 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.14 34.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -152.05 179.04 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.75 171.49 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.86 163.75 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -143.45 142.89 11.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 93' ' ' VAL . 96.6 m-85 -132.85 115.86 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -135.31 169.29 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 50.31 26.35 2.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.7 141.74 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.7 m -132.87 176.89 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 47.5 p-80 -83.17 2.31 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.18 4.87 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -172.81 170.25 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -158.34 128.75 6.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -91.78 130.44 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 75' ' ' VAL . 7.0 p -124.23 113.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -120.62 158.11 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -126.85 163.89 22.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.43 15.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.14 -171.27 54.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -129.05 157.2 76.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.5 Cg_endo -69.82 -0.45 6.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 8.7 ptm180 -140.32 153.26 68.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.88 48.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 81' ' ' TYR . 25.1 t -120.87 155.14 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 35' ' ' VAL . 27.3 ptt180 -95.05 -39.5 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 38' ' ' VAL . 11.2 tp -155.72 156.51 35.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 79.8 t -128.28 151.13 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -139.34 108.47 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 41' ' ' THR . 40.0 t -89.42 153.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.4 p -151.29 115.23 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.735 ' CE1' HD22 ' A' ' 64' ' ' LEU . 2.1 p90 -110.21 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 145.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -65.97 157.85 29.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 t -54.28 -52.49 61.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 3.0 pp20? -90.23 44.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.03 37.47 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.63 -88.48 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -96.24 141.09 30.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.4 p -138.73 158.97 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 42' ' ' TYR . . . -144.04 -174.85 16.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -170.37 113.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 t -127.13 138.46 53.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' OE2' ' CA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -104.24 155.82 18.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -146.05 164.9 22.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.5 Cg_endo -69.8 158.48 56.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -15.24 33.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -99.19 15.27 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.37 118.25 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.7 p -111.58 13.26 21.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -167.66 139.24 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -149.72 144.0 25.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' HD23 ' A' ' 64' ' ' LEU . 30.7 mtp -89.52 163.66 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.735 HD22 ' CE1' ' A' ' 42' ' ' TYR . 14.7 mt -137.74 141.56 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.25 176.13 29.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 130.22 16.31 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.333 0.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.4 mt -99.54 -177.66 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.3 t -101.22 -179.75 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 p -106.92 150.58 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 t 44.11 30.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.3 m -122.33 127.73 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.7 m -77.77 126.93 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -115.14 118.31 32.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -79.08 93.38 5.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 26' ' ' VAL . 90.5 t -74.92 148.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 18.3 ttp180 -139.28 108.64 6.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -94.54 102.29 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' OG1' ' A' ' 88' ' ' THR . 3.6 m -97.34 117.48 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.8 m -103.93 114.87 29.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.49 110.33 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.722 ' CD1' HG22 ' A' ' 35' ' ' VAL . 59.7 m-85 -79.37 145.27 63.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.41 5.7 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.78 -138.33 8.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.29 72.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.92 176.4 41.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 21.7 p -164.96 161.98 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -143.24 136.71 28.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 76' ' ' ARG . 84.8 m -124.95 126.06 44.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.53 102.06 10.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 154.66 20.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.65 -161.72 10.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -155.43 118.34 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.801 HG21 ' HB1' ' A' ' 24' ' ' ALA . 2.4 p -118.85 122.49 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.6 m -92.3 106.45 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 68' ' ' SER . 3.3 p -56.98 147.11 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' HIS . 31.1 mttt -68.22 166.35 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -76.21 133.63 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.56 144.08 76.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.69 28.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -49.81 150.31 3.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.26 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.9 m -151.79 120.95 6.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.3 p -60.19 151.57 26.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.86 114.97 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.742 2.294 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 m -66.78 162.44 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -100.1 167.5 10.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -129.96 129.53 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -99.16 -56.09 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 -123.0 5.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 p -134.11 147.53 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -86.44 121.15 28.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.89 91.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.45 84.79 7.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.78 143.81 67.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.6 Cg_endo -69.76 117.2 4.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.3 Cg_endo -69.74 -47.31 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' HD21 ' A' ' 89' ' ' LEU . 19.6 mmt180 -149.15 178.74 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.04 154.79 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -99.73 157.92 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.99 128.19 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.12 115.31 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 t -130.72 151.95 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 67.41 25.13 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.34 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -117.17 -176.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -85.1 -12.26 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.71 18.72 3.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.07 164.41 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.71 127.54 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -94.38 130.8 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.24 124.52 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -129.39 141.49 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.8 p90 -120.34 164.52 16.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -81.5 15.38 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.96 -161.19 39.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 32' ' ' PRO . . . -136.77 157.47 74.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 31' ' ' ALA . 53.6 Cg_endo -69.84 -8.28 23.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.274 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -132.92 152.44 79.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.852 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 142.63 48.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -125.45 153.97 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 1.7 ptp180 -99.55 -37.33 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 54' ' ' GLU . 12.3 tp -144.82 157.11 44.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 86.0 t -133.63 147.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.54 129.92 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.27 148.94 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 p -139.57 113.95 9.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 4.0 p90 -109.6 149.9 29.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 50' ' ' SER . 8.8 p -149.27 159.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 43' ' ' VAL . 87.9 p -64.42 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' GLU . 83.9 p -170.77 126.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 35.3 mt-10 36.46 42.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.03 142.81 9.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.35 -164.1 24.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -43.67 103.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 43' ' ' VAL . 88.0 p -128.98 153.64 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.97 -165.74 10.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -168.86 115.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -125.07 135.55 52.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -105.46 155.4 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HD2' ' A' ' 56' ' ' PRO . . . -148.13 165.22 18.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.726 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.81 149.03 66.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.372 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.65 -16.36 29.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 56' ' ' PRO . 15.5 p30 -89.3 0.01 57.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . . . -97.36 117.31 31.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.1 p -101.07 19.04 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 p -165.99 157.01 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.57 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtp -105.97 158.09 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.32 153.09 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 67' ' ' LEU . . . 141.24 177.38 16.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.1 58.64 Favored 'Cis proline' 0 C--O 1.232 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.335 0.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HA2' ' A' ' 65' ' ' GLY . 21.8 mt -112.88 -177.55 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' THR . 59.1 m -96.24 179.83 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.6 p -113.19 151.98 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t 48.7 28.14 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -126.25 136.87 53.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.8 m -77.02 140.28 40.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -130.34 119.61 23.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 m -83.84 113.63 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.2 151.83 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.508 ' HD2' HG22 ' A' ' 90' ' ' THR . 2.3 ttp-105 -144.17 111.49 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.84 96.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 40.1 m -85.27 117.8 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.9 mm? -90.04 108.68 19.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' ' CG ' ' A' ' 33' ' ' ARG . 64.0 m-85 -78.22 148.34 74.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.91 27.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 -69.28 1.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.54 -48.42 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.55 -168.84 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 94.7 p -174.67 153.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -117.95 140.9 49.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 HG23 ' HG2' ' A' ' 76' ' ' ARG . 37.4 m -129.91 119.36 23.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 12' ' ' ARG . 11.3 mt -109.51 105.49 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 76' ' ' ARG . 43.6 p -91.07 138.25 31.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.54 -160.1 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -158.61 138.9 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.7 p -136.58 120.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -87.48 108.76 19.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.8 p -55.55 150.49 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -73.95 166.54 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 133.57 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.79 149.36 80.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -35.73 12.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -165.82 142.38 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.692 0.758 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.54 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.9 p -103.77 156.56 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 p -90.84 -53.79 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.31 -161.92 29.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 114.67 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -129.65 166.82 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.9 m -114.15 144.81 42.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.433 -179.982 . . . . . . . . 0 0 . 1 stop_ save_